 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer02_STD_wB97XD_def2SVPD.in
 Output=26_junionone_conformer02_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/Gau-28778.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     28785.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer02_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer02_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.530099000000     -1.508264000000      1.055941000000
  C                                                 1.992159000000     -0.420719000000      0.101332000000
  C                                                 0.876932000000      0.415329000000     -0.653089000000
  C                                                -0.458897000000      0.388684000000     -0.019490000000
  C                                                -1.593028000000      0.006415000000     -0.609535000000
  C                                                -2.888593000000      0.009125000000      0.113412000000
  O                                                -2.988808000000      0.357087000000      1.273828000000
  C                                                 2.991586000000     -0.980627000000     -0.904352000000
  C                                                 2.495653000000      0.903435000000      0.738484000000
  C                                                 1.692114000000      1.700286000000     -0.311172000000
  C                                                -4.090420000000     -0.451292000000     -0.680206000000
  H                                                 3.575623000000      1.052608000000      0.763044000000
  H                                                 2.105043000000      1.042496000000      1.747169000000
  H                                                 0.794893000000      0.176326000000     -1.714627000000
  H                                                 1.113755000000      2.550616000000      0.047344000000
  H                                                 2.299691000000      2.026935000000     -1.153691000000
  H                                                 0.828612000000     -1.129461000000      1.799490000000
  H                                                 2.386498000000     -1.929915000000      1.588481000000
  H                                                 1.037863000000     -2.321547000000      0.516973000000
  H                                                 3.338078000000     -0.213622000000     -1.599830000000
  H                                                 2.542413000000     -1.786694000000     -1.489631000000
  H                                                 3.866547000000     -1.384606000000     -0.389083000000
  H                                                -0.531254000000      0.709327000000      1.016743000000
  H                                                -1.593669000000     -0.320419000000     -1.644436000000
  H                                                -3.932675000000     -1.470886000000     -1.042306000000
  H                                                -4.222470000000      0.181706000000     -1.561921000000
  H                                                -4.984113000000     -0.413788000000     -0.062287000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Aug 13 10:47:07 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.530099   -1.508264    1.055941
      2          6           0        1.992159   -0.420719    0.101332
      3          6           0        0.876932    0.415329   -0.653089
      4          6           0       -0.458897    0.388684   -0.019490
      5          6           0       -1.593028    0.006415   -0.609535
      6          6           0       -2.888593    0.009125    0.113412
      7          8           0       -2.988808    0.357087    1.273828
      8          6           0        2.991586   -0.980627   -0.904352
      9          6           0        2.495653    0.903435    0.738484
     10          6           0        1.692114    1.700286   -0.311172
     11          6           0       -4.090420   -0.451292   -0.680206
     12          1           0        3.575623    1.052608    0.763044
     13          1           0        2.105043    1.042496    1.747169
     14          1           0        0.794893    0.176326   -1.714627
     15          1           0        1.113755    2.550616    0.047344
     16          1           0        2.299691    2.026935   -1.153691
     17          1           0        0.828612   -1.129461    1.799490
     18          1           0        2.386498   -1.929915    1.588481
     19          1           0        1.037863   -2.321547    0.516973
     20          1           0        3.338078   -0.213622   -1.599830
     21          1           0        2.542413   -1.786694   -1.489631
     22          1           0        3.866547   -1.384606   -0.389083
     23          1           0       -0.531254    0.709327    1.016743
     24          1           0       -1.593669   -0.320419   -1.644436
     25          1           0       -3.932675   -1.470886   -1.042306
     26          1           0       -4.222470    0.181706   -1.561921
     27          1           0       -4.984113   -0.413788   -0.062287
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.519056   0.000000
     3  C    2.654736   1.584884   0.000000
     4  C    2.951452   2.584068   1.478715   0.000000
     5  C    3.849933   3.679856   2.503959   1.334367   0.000000
     6  C    4.766096   4.899658   3.864156   2.462753   1.483627
     7  O    4.893621   5.175883   4.319762   2.841500   2.370280
     8  C    2.501418   1.524386   2.546289   3.816258   4.698921
     9  C    2.617129   1.553336   2.189744   3.093357   4.397626
    10  C    3.491424   2.181479   1.559661   2.536183   3.708150
    11  C    5.976757   6.132659   5.042455   3.785507   2.539972
    12  H    3.290596   2.261839   3.113598   4.162992   5.449169
    13  H    2.704576   2.205112   2.768182   3.181563   4.505912
    14  H    3.324819   2.255574   1.091199   2.119098   2.636715
    15  H    4.202989   3.098926   2.259677   2.674257   3.772416
    16  H    4.239384   2.767791   2.207288   3.402953   4.419487
    17  H    1.090156   2.177131   2.898940   2.696504   3.599716
    18  H    1.093073   2.155177   3.578211   4.007212   4.941384
    19  H    1.092800   2.167161   2.980845   3.142202   3.689175
    20  H    3.463814   2.179068   2.710929   4.156593   5.034373
    21  H    2.753587   2.167909   2.884880   3.987662   4.592568
    22  H    2.749977   2.164004   3.499609   4.689416   5.638306
    23  H    3.027940   2.912489   2.204033   1.087118   2.065485
    24  H    4.296619   3.989477   2.761877   2.104990   1.085284
    25  H    5.852003   6.124901   5.180890   4.070785   2.800653
    26  H    6.542266   6.461497   5.185022   4.072642   2.802094
    27  H    6.699498   6.978194   5.948809   4.596017   3.460565
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.215601   0.000000
     8  C    6.049129   6.503773   0.000000
     9  C    5.493688   5.537545   2.548441   0.000000
    10  C    4.901344   5.121273   3.037727   1.543510   0.000000
    11  C    1.512019   2.384381   7.105297   6.871996   6.180872
    12  H    6.580043   6.620907   2.693576   1.090500   2.262970
    13  H    5.354757   5.161507   3.451021   1.090578   2.199992
    14  H    4.115550   4.824928   2.611617   3.072300   2.257686
    15  H    4.741554   4.811118   4.111162   2.258433   1.089079
    16  H    5.709238   6.053880   3.096178   2.209294   1.088893
    17  H    4.237552   4.130235   3.465742   2.835035   3.634281
    18  H    5.810533   5.850068   2.735232   2.960115   4.155624
    19  H    4.583879   4.895098   2.763198   3.546086   4.158005
    20  H    6.461907   6.972310   1.091807   2.724924   2.834234
    21  H    5.940584   6.544227   1.092727   3.493348   3.777672
    22  H    6.915700   7.265993   1.092821   2.895840   3.775022
    23  H    2.619797   2.495944   4.353958   3.045861   2.772855
    24  H    2.208044   3.304798   4.691286   4.888628   4.081325
    25  H    2.148540   3.097878   6.942966   7.080396   6.498395
    26  H    2.148430   3.097443   7.336622   7.137642   6.233198
    27  H    2.144978   2.522042   8.040034   7.636963   7.007372
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.944363   0.000000
    13  H    6.819627   1.769522   0.000000
    14  H    5.032913   3.826119   3.801418   0.000000
    15  H    6.051795   2.969352   2.479210   2.973797   0.000000
    16  H    6.870176   2.500238   3.069527   2.450269   1.767250
    17  H    5.550287   3.658103   2.519804   3.749031   4.085865
    18  H    7.020237   3.315239   2.989921   4.228473   4.906132
    19  H    5.588415   4.229149   3.737518   3.358339   4.895333
    20  H    7.488977   2.691271   3.781615   2.575467   3.911752
    21  H    6.814172   3.768780   4.321167   2.637783   4.818258
    22  H    8.016804   2.711466   3.682023   3.691698   4.822272
    23  H    4.110272   4.129000   2.755828   3.082716   2.652571
    24  H    2.679670   5.865385   5.200095   2.440678   4.293612
    25  H    1.093422   8.124152   7.110014   5.051259   6.544178
    26  H    1.093410   8.183776   7.192250   5.019689   6.056135
    27  H    1.087160   8.723564   7.459962   6.039484   6.781129
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.565982   0.000000
    18  H    4.814946   1.764160   0.000000
    19  H    4.826243   1.763436   1.766443   0.000000
    20  H    2.509459   4.323373   3.743861   3.770304   0.000000
    21  H    3.836083   3.766615   3.085384   2.564410   1.766290
    22  H    3.831224   3.752866   2.529559   3.114522   1.765330
    23  H    3.802778   2.417244   3.975646   3.449362   4.761304
    24  H    4.572653   4.287496   5.374380   3.949831   4.933105
    25  H    7.147695   5.555378   6.860298   5.278373   7.399689
    26  H    6.790442   6.207389   7.619871   6.185400   7.570971
    27  H    7.759001   6.145419   7.703868   6.343444   8.465398
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.768110   0.000000
    23  H    4.686092   5.069670   0.000000
    24  H    4.391025   5.702838   3.044828   0.000000
    25  H    6.498200   7.827005   4.534609   2.675273   0.000000
    26  H    7.045812   8.322324   4.533538   2.677598   1.756429
    27  H    7.782723   8.909740   4.717377   3.742596   1.784213
                   26         27
    26  H    0.000000
    27  H    1.784269   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.11D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.530099   -1.508264    1.055941
      2          6           0        1.992159   -0.420719    0.101332
      3          6           0        0.876932    0.415329   -0.653089
      4          6           0       -0.458897    0.388684   -0.019490
      5          6           0       -1.593028    0.006415   -0.609535
      6          6           0       -2.888593    0.009125    0.113412
      7          8           0       -2.988808    0.357087    1.273828
      8          6           0        2.991586   -0.980627   -0.904352
      9          6           0        2.495653    0.903435    0.738484
     10          6           0        1.692114    1.700286   -0.311172
     11          6           0       -4.090420   -0.451292   -0.680206
     12          1           0        3.575623    1.052608    0.763044
     13          1           0        2.105043    1.042496    1.747169
     14          1           0        0.794893    0.176326   -1.714627
     15          1           0        1.113755    2.550616    0.047344
     16          1           0        2.299691    2.026935   -1.153691
     17          1           0        0.828612   -1.129461    1.799490
     18          1           0        2.386498   -1.929915    1.588481
     19          1           0        1.037863   -2.321547    0.516973
     20          1           0        3.338078   -0.213622   -1.599830
     21          1           0        2.542413   -1.786694   -1.489631
     22          1           0        3.866547   -1.384606   -0.389083
     23          1           0       -0.531254    0.709327    1.016743
     24          1           0       -1.593669   -0.320419   -1.644436
     25          1           0       -3.932675   -1.470886   -1.042306
     26          1           0       -4.222470    0.181706   -1.561921
     27          1           0       -4.984113   -0.413788   -0.062287
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.2586681           0.5040654           0.4908743
 Leave Link  202 at Fri Aug 13 10:47:07 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   351 symmetry adapted basis functions of A   symmetry.
   351 basis functions,   515 primitive gaussians,   373 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       609.3387863805 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0187991769 Hartrees.
 Nuclear repulsion after empirical dispersion term =      609.3199872037 Hartrees.
 Leave Link  301 at Fri Aug 13 10:47:08 2021, MaxMem=  5368709120 cpu:               6.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   351 RedAO= T EigKep=  1.68D-05  NBF=   351
 NBsUse=   351 1.00D-06 EigRej= -1.00D+00 NBFU=   351
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   373   373   373   373   373 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               5.2 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer02_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 10:47:11 2021, MaxMem=  5368709120 cpu:               5.2 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368424127 LenY=  5368284557
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.430984309702    
 DIIS: error= 3.64D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.430984309702     IErMin= 1 ErrMin= 3.64D-03
 ErrMax= 3.64D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-02 BMatP= 1.14D-02
 IDIUse=3 WtCom= 9.64D-01 WtEn= 3.64D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.344 Goal=   None    Shift=    0.000
 GapD=    0.344 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.93D-03 MaxDP=5.74D-01              OVMax= 1.50D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.52D-03    CP:  1.12D+00
 E= -465.440469128595     Delta-E=       -0.009484818893 Rises=F Damp=F
 DIIS: error= 5.06D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.440469128595     IErMin= 2 ErrMin= 5.06D-04
 ErrMax= 5.06D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.79D-04 BMatP= 1.14D-02
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.06D-03
 Coeff-Com: -0.296D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.294D-01 0.103D+01
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=1.02D-03 MaxDP=1.06D-01 DE=-9.48D-03 OVMax= 7.66D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.33D-04    CP:  1.14D+00  1.11D+00
 E= -465.440776462530     Delta-E=       -0.000307333935 Rises=F Damp=F
 DIIS: error= 5.24D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.440776462530     IErMin= 2 ErrMin= 5.06D-04
 ErrMax= 5.24D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.09D-04 BMatP= 2.79D-04
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.24D-03
 Coeff-Com: -0.440D-01 0.482D+00 0.562D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.438D-01 0.479D+00 0.564D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=1.01D-04 MaxDP=7.21D-03 DE=-3.07D-04 OVMax= 3.15D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.71D-05    CP:  1.14D+00  1.12D+00  1.02D+00
 E= -465.440925225974     Delta-E=       -0.000148763445 Rises=F Damp=F
 DIIS: error= 1.86D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.440925225974     IErMin= 4 ErrMin= 1.86D-04
 ErrMax= 1.86D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.89D-05 BMatP= 2.09D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.86D-03
 Coeff-Com: -0.164D-01 0.107D+00 0.250D+00 0.660D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.163D-01 0.107D+00 0.250D+00 0.660D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=4.40D-05 MaxDP=1.44D-03 DE=-1.49D-04 OVMax= 1.02D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.84D-05    CP:  1.14D+00  1.12D+00  1.06D+00  1.04D+00
 E= -465.440940230021     Delta-E=       -0.000015004047 Rises=F Damp=F
 DIIS: error= 6.44D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.440940230021     IErMin= 5 ErrMin= 6.44D-05
 ErrMax= 6.44D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.07D-06 BMatP= 1.89D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.169D-02-0.443D-01-0.182D-01 0.252D+00 0.809D+00
 Coeff:      0.169D-02-0.443D-01-0.182D-01 0.252D+00 0.809D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=1.92D-05 MaxDP=7.86D-04 DE=-1.50D-05 OVMax= 5.63D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.41D-05    CP:  1.14D+00  1.12D+00  1.09D+00  1.05D+00  9.93D-01
 E= -465.440942601274     Delta-E=       -0.000002371253 Rises=F Damp=F
 DIIS: error= 9.49D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.440942601274     IErMin= 6 ErrMin= 9.49D-06
 ErrMax= 9.49D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.49D-08 BMatP= 2.07D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.965D-03-0.149D-01-0.122D-01 0.366D-01 0.199D+00 0.790D+00
 Coeff:      0.965D-03-0.149D-01-0.122D-01 0.366D-01 0.199D+00 0.790D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=5.17D-06 MaxDP=3.60D-04 DE=-2.37D-06 OVMax= 1.62D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.38D-06    CP:  1.14D+00  1.12D+00  1.09D+00  1.06D+00  1.03D+00
                    CP:  1.08D+00
 E= -465.440942679309     Delta-E=       -0.000000078035 Rises=F Damp=F
 DIIS: error= 2.58D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.440942679309     IErMin= 7 ErrMin= 2.58D-06
 ErrMax= 2.58D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-08 BMatP= 5.49D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.171D-03-0.468D-03-0.145D-02-0.164D-01-0.180D-01 0.285D+00
 Coeff-Com:  0.751D+00
 Coeff:      0.171D-03-0.468D-03-0.145D-02-0.164D-01-0.180D-01 0.285D+00
 Coeff:      0.751D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=1.73D-06 MaxDP=1.36D-04 DE=-7.80D-08 OVMax= 5.00D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.15D-06    CP:  1.14D+00  1.12D+00  1.09D+00  1.06D+00  1.04D+00
                    CP:  1.15D+00  9.95D-01
 E= -465.440942696511     Delta-E=       -0.000000017202 Rises=F Damp=F
 DIIS: error= 1.62D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.440942696511     IErMin= 8 ErrMin= 1.62D-06
 ErrMax= 1.62D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.91D-10 BMatP= 1.17D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.898D-04 0.194D-02 0.172D-02-0.102D-01-0.323D-01-0.401D-01
 Coeff-Com:  0.174D+00 0.905D+00
 Coeff:     -0.898D-04 0.194D-02 0.172D-02-0.102D-01-0.323D-01-0.401D-01
 Coeff:      0.174D+00 0.905D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=6.43D-07 MaxDP=1.65D-05 DE=-1.72D-08 OVMax= 4.06D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.74D-07    CP:  1.14D+00  1.12D+00  1.09D+00  1.06D+00  1.05D+00
                    CP:  1.17D+00  1.04D+00  1.02D+00
 E= -465.440942698824     Delta-E=       -0.000000002313 Rises=F Damp=F
 DIIS: error= 4.17D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.440942698824     IErMin= 9 ErrMin= 4.17D-07
 ErrMax= 4.17D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.81D-10 BMatP= 9.91D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.515D-04 0.802D-03 0.833D-03-0.264D-02-0.111D-01-0.399D-01
 Coeff-Com: -0.101D-01 0.360D+00 0.702D+00
 Coeff:     -0.515D-04 0.802D-03 0.833D-03-0.264D-02-0.111D-01-0.399D-01
 Coeff:     -0.101D-01 0.360D+00 0.702D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=1.78D-07 MaxDP=5.48D-06 DE=-2.31D-09 OVMax= 7.64D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.35D-07    CP:  1.14D+00  1.12D+00  1.09D+00  1.06D+00  1.04D+00
                    CP:  1.17D+00  1.06D+00  1.11D+00  9.91D-01
 E= -465.440942699109     Delta-E=       -0.000000000285 Rises=F Damp=F
 DIIS: error= 1.39D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.440942699109     IErMin=10 ErrMin= 1.39D-07
 ErrMax= 1.39D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.47D-11 BMatP= 1.81D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.878D-06-0.697D-04-0.170D-04 0.761D-03 0.185D-02-0.363D-02
 Coeff-Com: -0.341D-01-0.190D-01 0.183D+00 0.871D+00
 Coeff:     -0.878D-06-0.697D-04-0.170D-04 0.761D-03 0.185D-02-0.363D-02
 Coeff:     -0.341D-01-0.190D-01 0.183D+00 0.871D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=9.19D-08 MaxDP=6.69D-06 DE=-2.85D-10 OVMax= 5.20D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.20D-08    CP:  1.14D+00  1.12D+00  1.09D+00  1.06D+00  1.04D+00
                    CP:  1.17D+00  1.06D+00  1.13D+00  1.03D+00  1.10D+00
 E= -465.440942699158     Delta-E=       -0.000000000049 Rises=F Damp=F
 DIIS: error= 4.53D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.440942699158     IErMin=11 ErrMin= 4.53D-08
 ErrMax= 4.53D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.70D-12 BMatP= 1.47D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.605D-05-0.125D-03-0.107D-03 0.580D-03 0.199D-02 0.413D-02
 Coeff-Com: -0.116D-01-0.469D-01-0.478D-01 0.283D+00 0.817D+00
 Coeff:      0.605D-05-0.125D-03-0.107D-03 0.580D-03 0.199D-02 0.413D-02
 Coeff:     -0.116D-01-0.469D-01-0.478D-01 0.283D+00 0.817D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=3.13D-08 MaxDP=1.99D-06 DE=-4.89D-11 OVMax= 1.30D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.11D-08    CP:  1.14D+00  1.12D+00  1.09D+00  1.06D+00  1.04D+00
                    CP:  1.17D+00  1.06D+00  1.13D+00  1.04D+00  1.21D+00
                    CP:  1.12D+00
 E= -465.440942699152     Delta-E=        0.000000000006 Rises=F Damp=F
 DIIS: error= 1.16D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -465.440942699158     IErMin=12 ErrMin= 1.16D-08
 ErrMax= 1.16D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.66D-13 BMatP= 2.70D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.142D-05-0.208D-04-0.188D-04 0.562D-04 0.256D-03 0.134D-02
 Coeff-Com:  0.226D-03-0.554D-02-0.325D-01-0.105D-01 0.146D+00 0.901D+00
 Coeff:      0.142D-05-0.208D-04-0.188D-04 0.562D-04 0.256D-03 0.134D-02
 Coeff:      0.226D-03-0.554D-02-0.325D-01-0.105D-01 0.146D+00 0.901D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=8.93D-09 MaxDP=2.82D-07 DE= 5.68D-12 OVMax= 4.22D-07

 SCF Done:  E(RwB97XD) =  -465.440942699     A.U. after   12 cycles
            NFock= 12  Conv=0.89D-08     -V/T= 2.0119
 KE= 4.599741395131D+02 PE=-2.296664891118D+03 EE= 7.619298217023D+02
 Leave Link  502 at Fri Aug 13 10:51:07 2021, MaxMem=  5368709120 cpu:            1878.0 elap:             235.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   351
 NBasis=   351 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    351 NOA=    42 NOB=    42 NVA=   309 NVB=   309

 **** Warning!!: The largest alpha MO coefficient is  0.43287072D+02

 Leave Link  801 at Fri Aug 13 10:51:07 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8180 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D+00 5.21D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.16D-13 8.33D-09 XBig12= 1.75D-01 5.62D-02.
     11 vectors produced by pass  2 Test12= 2.16D-13 8.33D-09 XBig12= 3.33D-02 1.08D-01.
     11 vectors produced by pass  3 Test12= 2.16D-13 8.33D-09 XBig12= 3.98D-03 1.86D-02.
     11 vectors produced by pass  4 Test12= 2.16D-13 8.33D-09 XBig12= 4.45D-04 3.77D-03.
     11 vectors produced by pass  5 Test12= 2.16D-13 8.33D-09 XBig12= 3.13D-05 7.79D-04.
     11 vectors produced by pass  6 Test12= 2.16D-13 8.33D-09 XBig12= 1.07D-06 1.87D-04.
     11 vectors produced by pass  7 Test12= 2.16D-13 8.33D-09 XBig12= 3.38D-08 3.66D-05.
     11 vectors produced by pass  8 Test12= 2.16D-13 8.33D-09 XBig12= 8.12D-10 5.93D-06.
     11 vectors produced by pass  9 Test12= 2.16D-13 8.33D-09 XBig12= 1.69D-11 5.06D-07.
      9 vectors produced by pass 10 Test12= 2.16D-13 8.33D-09 XBig12= 3.18D-13 7.52D-08.
      1 vectors produced by pass 11 Test12= 2.16D-13 8.33D-09 XBig12= 2.43D-14 1.14D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   120 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.168950D+03
      2  0.531672D+01  0.107658D+03
      3  0.286084D+01  0.298302D+01  0.111479D+03
 Isotropic polarizability for W=    0.085645      129.36 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.765867D+02 -0.257245D+02 -0.238472D+01
      2   0.671592D+02  0.416388D+01  0.868736D+01
      3   0.942754D+01  0.215606D+02 -0.630263D+01
      4  -0.372980D+02  0.916938D+02 -0.259525D+02
      5  -0.309724D+02 -0.280822D+02  0.517089D+01
      6  -0.126313D+02 -0.178024D+02 -0.117787D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.726564D+01 -0.795276D+01  0.521966D+01
      2   0.323570D+02 -0.867428D+01  0.391270D+01
      3   0.234971D+02 -0.391425D+02  0.140700D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.212975D+01 -0.264897D+02  0.333393D+02
      2   0.285877D+02 -0.133211D+02 -0.425665D+01
      3  -0.115735D+02 -0.245346D+02  0.154509D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.216544D+01 -0.583883D+01 -0.445847D+01
      2  -0.583883D+01  0.719117D-01  0.520855D+01
      3  -0.445847D+01  0.520855D+01 -0.410723D+01
 OR G Eigenvalues:    -7.6650    -4.4583    10.2534  Iso=     0.6233
 Eigenvectors:
   (1)   0.083148  -0.512577   0.854606
   (2)   0.735761   0.609970   0.294265
   (3)   0.672118  -0.604318  -0.427852
 w=    0.085645 a.u., Optical Rotation Beta=      0.6233 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      194.18 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   61776 ScalPx= 3.81D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.21D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.60D-14 2.78D-09 XBig12= 1.00D+00 4.98D-01.
     30 vectors produced by pass  1 Test12= 3.60D-14 2.78D-09 XBig12= 8.86D-02 6.69D-02.
     30 vectors produced by pass  2 Test12= 3.60D-14 2.78D-09 XBig12= 4.11D-03 2.28D-02.
     30 vectors produced by pass  3 Test12= 3.60D-14 2.78D-09 XBig12= 4.45D-05 9.41D-04.
     30 vectors produced by pass  4 Test12= 3.60D-14 2.78D-09 XBig12= 1.03D-06 1.14D-04.
     30 vectors produced by pass  5 Test12= 3.60D-14 2.78D-09 XBig12= 1.97D-08 1.46D-05.
     30 vectors produced by pass  6 Test12= 3.60D-14 2.78D-09 XBig12= 2.16D-10 1.27D-06.
     30 vectors produced by pass  7 Test12= 3.60D-14 2.78D-09 XBig12= 1.72D-12 1.60D-07.
     15 vectors produced by pass  8 Test12= 3.60D-14 2.78D-09 XBig12= 1.33D-14 1.16D-08.
      2 vectors produced by pass  9 Test12= 3.60D-14 2.78D-09 XBig12= 1.65D-15 3.75D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.89D-15
 Solved reduced A of dimension   257 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 2.14D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 2.14D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 9.98D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.168950D+03  0.531672D+01  0.286084D+01
      2   0.531672D+01  0.107658D+03  0.298302D+01
      3   0.286084D+01  0.298302D+01  0.111479D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.726564D+01 -0.795276D+01  0.521966D+01
      2   0.323570D+02 -0.867428D+01  0.391270D+01
      3   0.234971D+02 -0.391425D+02  0.140700D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.765867D+02 -0.257245D+02 -0.238472D+01
      2   0.671592D+02  0.416388D+01  0.868736D+01
      3   0.942754D+01  0.215606D+02 -0.630263D+01
      4  -0.372980D+02  0.916938D+02 -0.259525D+02
      5  -0.309724D+02 -0.280822D+02  0.517089D+01
      6  -0.126313D+02 -0.178024D+02 -0.117787D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.286260D+01  0.207904D+01 -0.372504D+01  0.147594D+01  0.398192D+00
      2   0.207904D+01  0.283811D+00  0.376222D+01  0.398192D+00  0.255846D+01
      3  -0.372504D+01  0.376222D+01  0.217794D+00  0.371246D+01  0.174702D+01
                 6             7             8             9            10 
      1   0.371246D+01 -0.419595D+01  0.377944D+01  0.332352D+00  0.205337D+02
      2   0.174702D+01  0.377944D+01  0.205689D+01 -0.806178D-02 -0.358977D+01
      3  -0.766739D+00  0.332352D+00 -0.806178D-02 -0.179432D+01  0.367794D+01
                11            12            13            14            15 
      1  -0.358977D+01  0.367794D+01 -0.784604D+01  0.223231D+01 -0.389927D+01
      2   0.504238D+00 -0.328314D+01  0.223231D+01 -0.395193D+01 -0.261428D+01
      3  -0.328314D+01 -0.615001D+00 -0.389927D+01 -0.261428D+01 -0.633141D-01
                16            17            18            19            20 
      1   0.156738D+02 -0.456570D+01  0.171272D+00 -0.426501D+02 -0.617703D+00
      2  -0.456570D+01 -0.251628D+01 -0.136704D+00 -0.617703D+00 -0.396090D+01
      3   0.171272D+00 -0.136704D+00  0.750278D+00 -0.180559D+01  0.996132D+00
                21            22            23            24            25 
      1  -0.180559D+01  0.476343D+01 -0.941306D+01  0.212084D+01 -0.600299D+01
      2   0.996132D+00 -0.941306D+01 -0.146631D+01 -0.935249D+00  0.187701D+01
      3   0.609594D-01  0.212084D+01 -0.935249D+00  0.211382D+01  0.258216D+00
                26            27            28            29            30 
      1   0.187701D+01  0.258216D+00  0.633331D+02  0.381601D+01  0.471310D+00
      2  -0.115734D+01  0.213809D+01  0.381601D+01  0.299192D+01 -0.503840D+00
      3   0.213809D+01  0.441226D+01  0.471310D+00 -0.503840D+00  0.151716D+01
                31            32            33            34            35 
      1   0.107666D+02  0.726240D+01 -0.194767D+01  0.884339D+01 -0.653448D+00
      2   0.726240D+01  0.308585D+01 -0.252684D-01 -0.653448D+00  0.716344D+00
      3  -0.194767D+01 -0.252684D-01 -0.120481D+01  0.183930D+01 -0.154420D+01
                36            37            38            39            40 
      1   0.183930D+01 -0.576556D+02 -0.341999D+01  0.292787D+01 -0.119812D+02
      2  -0.154420D+01 -0.341999D+01 -0.172698D+01  0.775261D+00 -0.522604D+01
      3  -0.316737D+01  0.292787D+01  0.775261D+00 -0.116351D+01  0.152886D+01
                41            42            43            44            45 
      1  -0.522604D+01  0.152886D+01 -0.111085D+02 -0.454204D+00 -0.387265D+01
      2  -0.245491D+01 -0.861431D+00 -0.454204D+00 -0.137469D+01  0.162573D+01
      3  -0.861431D+00  0.188892D+01 -0.387265D+01  0.162573D+01  0.268286D+01
                46            47            48            49            50 
      1   0.183065D+02  0.923878D+00 -0.339637D+01 -0.487327D+01 -0.632339D+00
      2   0.923878D+00 -0.803611D+00 -0.384310D-01 -0.632339D+00 -0.616819D+00
      3  -0.339637D+01 -0.384310D-01 -0.702700D+00  0.268353D+01 -0.786206D+00
                51            52            53            54            55 
      1   0.268353D+01 -0.258260D+02  0.642442D+00  0.859855D+01 -0.510415D+01
      2  -0.786206D+00  0.642442D+00  0.647996D-01 -0.903613D+00  0.613696D+00
      3  -0.166871D+01  0.859855D+01 -0.903613D+00 -0.624021D+01  0.266975D+01
                56            57            58            59            60 
      1   0.613696D+00  0.266975D+01  0.779192D+01 -0.178682D+01 -0.264053D+01
      2  -0.341405D+00 -0.386900D+00 -0.178682D+01  0.180436D+01  0.287527D+01
      3  -0.386900D+00 -0.102480D+01 -0.264053D+01  0.287527D+01  0.167134D+01
                61            62            63            64            65 
      1   0.256011D+02 -0.228095D+00 -0.983322D+01 -0.705341D+01  0.207176D+01
      2  -0.228095D+00  0.165044D+01  0.121843D+01  0.207176D+01 -0.527768D-01
      3  -0.983322D+01  0.121843D+01  0.112682D+02 -0.256861D+01  0.387626D+01
                66            67            68            69            70 
      1  -0.256861D+01  0.243772D+01 -0.958046D+00  0.379163D+01 -0.686871D+01
      2   0.387626D+01 -0.958046D+00  0.161794D+01  0.345118D+01  0.406841D+01
      3   0.857534D+00  0.379163D+01  0.345118D+01 -0.901849D+00 -0.403883D-01
                71            72            73            74            75 
      1   0.406841D+01 -0.403883D-01 -0.615149D+01 -0.152044D+01 -0.133422D+01
      2   0.317268D+01 -0.296702D+00 -0.152044D+01  0.177762D+01 -0.471764D+00
      3  -0.296702D+00  0.131343D+01 -0.133422D+01 -0.471764D+00  0.252416D+01
                76            77            78            79            80 
      1  -0.177413D+01  0.266706D+01 -0.686092D+00  0.392118D+00 -0.178190D+00
      2   0.266706D+01  0.482273D+01  0.315360D+01 -0.178190D+00  0.277544D+01
      3  -0.686092D+00  0.315360D+01 -0.101770D+01  0.233573D+01 -0.157270D+01
                81            82            83            84            85 
      1   0.233573D+01  0.706046D+01  0.274396D+01  0.733911D+00  0.551630D+01
      2  -0.157270D+01  0.274396D+01  0.396078D+01  0.303915D+01  0.572609D+01
      3  -0.312739D+01  0.733911D+00  0.303915D+01 -0.273310D+01  0.220411D+01
                86            87            88            89            90 
      1   0.572609D+01  0.220411D+01  0.793076D+01  0.543088D+01 -0.333909D+01
      2  -0.145279D+01 -0.109872D+00  0.543088D+01  0.553439D-01 -0.256057D+00
      3  -0.109872D+00  0.370031D-01 -0.333909D+01 -0.256057D+00  0.663238D+00
                91            92            93            94            95 
      1   0.148191D+01 -0.133143D+01 -0.444630D+01 -0.241012D+01  0.474867D+00
      2  -0.133143D+01 -0.895669D+00 -0.103586D+01  0.474867D+00  0.388694D+01
      3  -0.444630D+01 -0.103586D+01  0.127756D+01 -0.977394D+00  0.354479D+01
                96            97            98            99           100 
      1  -0.977394D+00 -0.719912D+01 -0.970563D+00  0.350954D+01  0.110863D+02
      2   0.354479D+01 -0.970563D+00  0.284390D+01 -0.959003D+00  0.223517D+01
      3  -0.143834D+01  0.350954D+01 -0.959003D+00  0.383536D+01  0.232049D+01
               101           102           103           104           105 
      1   0.223517D+01  0.232049D+01  0.104491D+01  0.143800D+01  0.268294D+00
      2   0.183566D+01  0.586465D+00  0.143800D+01  0.549599D+00  0.119272D+00
      3   0.586465D+00  0.146974D+01  0.268294D+00  0.119272D+00  0.263528D+00
               106           107           108           109           110 
      1   0.461413D+00  0.180859D+00  0.109251D+01 -0.169427D+00  0.420139D+00
      2   0.180859D+00 -0.233765D+00  0.479839D+00  0.420139D+00 -0.874218D+00
      3   0.109251D+01  0.479839D+00  0.102634D+01  0.936385D+00 -0.256671D+00
               111           112           113           114           115 
      1   0.936385D+00  0.179853D+00 -0.173457D+00  0.897557D-01  0.109196D+01
      2  -0.256671D+00 -0.173457D+00  0.409567D+00  0.787498D+00  0.104712D+00
      3  -0.192939D+01  0.897557D-01  0.787498D+00  0.950630D+00  0.548459D-01
               116           117           118           119           120 
      1   0.104712D+00  0.548459D-01 -0.364853D+00 -0.389209D+00 -0.794114D+00
      2   0.169341D+01  0.163413D+01 -0.389209D+00  0.273310D+00 -0.128010D+00
      3   0.163413D+01  0.777529D+01 -0.794114D+00 -0.128010D+00 -0.373510D+00
               121           122           123           124           125 
      1  -0.181178D+01  0.430264D+00 -0.268727D-01 -0.136478D+01  0.858920D-02
      2   0.430264D+00 -0.505291D+00 -0.104146D+01  0.858920D-02 -0.117196D+01
      3  -0.268727D-01 -0.104146D+01 -0.129446D+01  0.116593D+00 -0.772012D+00
               126           127           128           129           130 
      1   0.116593D+00 -0.193878D+01  0.145438D+01  0.540473D-01  0.127115D+00
      2  -0.772012D+00  0.145438D+01 -0.397176D+01 -0.563638D+00 -0.164496D+01
      3  -0.718497D+01  0.540473D-01 -0.563638D+00 -0.331674D+00 -0.364605D+00
               131           132           133           134           135 
      1  -0.164496D+01 -0.364605D+00  0.207505D+00 -0.707066D+00  0.170105D+00
      2   0.799032D+01  0.642278D+00 -0.707066D+00  0.207399D+01  0.130170D+01
      3   0.642278D+00  0.981161D+00  0.170105D+00  0.130170D+01  0.567832D+00
               136           137           138           139           140 
      1   0.279593D+01  0.150834D+01 -0.178757D+01 -0.799027D-01  0.107669D+01
      2   0.150834D+01  0.164833D+01 -0.144484D+01  0.107669D+01  0.253098D+01
      3  -0.178757D+01 -0.144484D+01  0.223799D+01 -0.105630D+01 -0.156928D+01
               141           142           143           144           145 
      1  -0.105630D+01 -0.448841D+01 -0.249113D+01  0.267974D+01 -0.291995D+01
      2  -0.156928D+01 -0.249113D+01 -0.296365D+01  0.242947D+01  0.400035D+00
      3   0.137754D+01  0.267974D+01  0.242947D+01 -0.427822D+01  0.184117D+01
               146           147           148           149           150 
      1   0.400035D+00  0.184117D+01  0.134295D+01 -0.855259D+00 -0.583892D+00
      2  -0.108000D+01 -0.153784D+00 -0.855259D+00  0.694244D+00  0.202302D+00
      3  -0.153784D+00 -0.241417D+01 -0.583892D+00  0.202302D+00  0.130418D+01
               151           152           153           154           155 
      1   0.180748D+01 -0.474541D+00 -0.187312D+01  0.542191D+01 -0.270538D+01
      2  -0.474541D+00  0.724289D+00  0.130788D-01 -0.270538D+01  0.288527D+01
      3  -0.187312D+01  0.130788D-01  0.423644D+01  0.287061D+01 -0.213581D+01
               156           157           158           159           160 
      1   0.287061D+01 -0.155993D+01  0.179756D+01 -0.136782D+01  0.199662D+01
      2  -0.213581D+01  0.179756D+01 -0.273851D+01  0.140708D+01 -0.164774D+01
      3   0.278659D+01 -0.136782D+01  0.140708D+01 -0.125234D+01  0.205166D+01
               161           162           163           164           165 
      1  -0.164774D+01  0.205166D+01 -0.135259D+01 -0.150290D+01 -0.605072D-01
      2   0.144852D+01 -0.179609D+01 -0.150290D+01 -0.248824D+01 -0.576881D+00
      3  -0.179609D+01  0.307408D+01 -0.605072D-01 -0.576881D+00 -0.674499D+00
               166           167           168           169           170 
      1  -0.123143D+01 -0.138892D+01 -0.537315D+00 -0.604344D+00 -0.817430D+00
      2  -0.138892D+01 -0.618904D+01 -0.809046D+00 -0.817430D+00 -0.290018D+01
      3  -0.537315D+00 -0.809046D+00 -0.116451D+01 -0.442449D+00 -0.982387D+00
               171           172           173           174           175 
      1  -0.442449D+00  0.265139D+01  0.791041D+00 -0.125730D+01  0.211603D+01
      2  -0.982387D+00  0.791041D+00  0.706101D+00 -0.995940D+00  0.908489D+00
      3  -0.110943D+01 -0.125730D+01 -0.995940D+00  0.131413D+01 -0.188314D+01
               176           177           178           179           180 
      1   0.908489D+00 -0.188314D+01 -0.152499D+01 -0.110024D+01  0.205689D+01
      2   0.256305D+01 -0.176388D+01 -0.110024D+01 -0.179177D+01  0.148187D+01
      3  -0.176388D+01  0.263265D+01  0.205689D+01  0.148187D+01 -0.395855D+01
               181           182           183           184           185 
      1  -0.444598D+00 -0.723094D+00 -0.173228D+00 -0.137166D+01  0.262686D+00
      2  -0.723094D+00 -0.185011D+01 -0.133579D+01  0.262686D+00 -0.509240D+01
      3  -0.173228D+00 -0.133579D+01 -0.148257D+01 -0.114370D+00 -0.288903D+01
               186           187           188           189           190 
      1  -0.114370D+00 -0.292127D+00 -0.287730D+00  0.102078D+00  0.851636D+01
      2  -0.288903D+01 -0.287730D+00 -0.275296D+01 -0.224588D+01 -0.312353D+01
      3  -0.240049D+01  0.102078D+00 -0.224588D+01 -0.310940D+01  0.116575D+01
               191           192           193           194           195 
      1  -0.312353D+01  0.116575D+01 -0.277227D+01  0.232863D+01 -0.647949D+00
      2   0.201336D+01 -0.688492D+00  0.232863D+01 -0.206925D+01  0.632883D-01
      3  -0.688492D+00  0.124215D+01 -0.647949D+00  0.632883D-01 -0.526518D+00
               196           197           198           199           200 
      1   0.500279D+01 -0.182963D+01  0.126112D+01  0.146989D+01  0.575739D+00
      2  -0.182963D+01  0.108669D+01 -0.576433D+00  0.575739D+00 -0.112998D-01
      3   0.126112D+01 -0.576433D+00  0.123864D+01  0.774212D+00 -0.192045D-01
               201           202           203           204           205 
      1   0.774212D+00  0.152163D+01 -0.103655D+01  0.280336D+00  0.190992D+01
      2  -0.192045D-01 -0.103655D+01  0.620441D+00  0.103046D+01  0.605799D+00
      3  -0.100295D+00  0.280336D+00  0.103046D+01  0.112653D+01  0.514009D+00
               206           207           208           209           210 
      1   0.605799D+00  0.514009D+00 -0.141260D+01 -0.617618D+00 -0.116376D+01
      2   0.139666D+01  0.115426D+01 -0.617618D+00 -0.562509D-01 -0.876187D-01
      3   0.115426D+01  0.453563D+01 -0.116376D+01 -0.876187D-01  0.213340D+00
               211           212           213           214           215 
      1  -0.965537D+00  0.298930D+00 -0.731579D+00 -0.187818D+01 -0.574393D+00
      2   0.298930D+00 -0.525782D+00 -0.859373D+00 -0.574393D+00 -0.125322D+01
      3  -0.731579D+00 -0.859373D+00 -0.176207D+01 -0.103305D+01 -0.160058D+01
               216           217           218           219           220 
      1  -0.103305D+01 -0.945743D+00 -0.607863D+00  0.393878D+00 -0.333088D+01
      2  -0.160058D+01 -0.607863D+00  0.574191D+00  0.382837D+00 -0.192971D+01
      3  -0.649424D+01  0.393878D+00  0.382837D+00  0.253774D+00 -0.813227D+00
               221           222           223           224           225 
      1  -0.192971D+01 -0.813227D+00 -0.116744D+01 -0.479388D+00 -0.138516D+01
      2  -0.729801D+01 -0.267747D+01 -0.479388D+00 -0.211749D+01 -0.156275D+01
      3  -0.267747D+01 -0.198608D+01 -0.138516D+01 -0.156275D+01 -0.227989D+01
               226           227           228           229           230 
      1  -0.258508D+01  0.788030D+00 -0.570636D+00  0.247137D+01 -0.114385D+01
      2   0.788030D+00 -0.263049D+00  0.496205D+00 -0.114385D+01  0.158180D+01
      3  -0.570636D+00  0.496205D+00 -0.785532D+00  0.147386D+01 -0.217528D+01
               231           232           233           234           235 
      1   0.147386D+01 -0.347176D+01  0.355814D+00 -0.321974D+01 -0.904654D+01
      2  -0.217528D+01  0.355814D+00 -0.217959D+01  0.170566D+01 -0.272298D+00
      3   0.286156D+01 -0.321974D+01  0.170566D+01 -0.627646D+01  0.224593D+01
               236           237           238           239           240 
      1  -0.272298D+00  0.224593D+01  0.452319D+00 -0.111316D+01  0.124366D+00
      2  -0.107833D+01  0.192075D+00 -0.111316D+01 -0.355259D+00  0.930884D-01
      3   0.192075D+00 -0.164216D+01  0.124366D+00  0.930884D-01  0.239085D+00
               241           242           243 
      1   0.507448D+01  0.405532D+00 -0.210564D+01
      2   0.405532D+00  0.653499D+00  0.309380D-01
      3  -0.210564D+01  0.309380D-01  0.164054D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.509174D+01  0.852115D+01  0.613888D+01  0.808679D+01  0.855086D+01
      2  -0.707257D+01  0.206672D+01  0.727945D+01  0.610444D+01  0.180708D+01
      3  -0.311815D+01 -0.828358D+01  0.131425D+01 -0.620138D+00 -0.507337D+01
                 6             7             8             9            10 
      1  -0.119340D+01  0.607266D+01  0.552617D+01 -0.460016D+01  0.580138D+01
      2  -0.604173D+01  0.326258D+01 -0.581040D+01 -0.359233D+01  0.187716D+02
      3  -0.100780D+02  0.302607D+00 -0.114104D+02 -0.925430D+00  0.107076D+02
                11            12            13            14            15 
      1  -0.519105D+01 -0.376800D+00 -0.841046D+01 -0.497715D+01 -0.528234D+01
      2  -0.858978D+01  0.273914D+01 -0.123590D+02 -0.371895D+01 -0.541099D+00
      3  -0.325198D+01  0.716572D+01  0.624208D+01  0.995623D+01  0.991374D+01
                16            17            18            19            20 
      1   0.399282D+01  0.385003D+01 -0.510125D+00 -0.437829D+00  0.332944D+01
      2   0.358087D+01 -0.184497D+00  0.242202D+01 -0.306727D+02 -0.918790D+00
      3   0.103233D+02  0.104720D+02  0.525049D+00 -0.184922D+02 -0.415541D+01
                21            22            23            24            25 
      1  -0.123293D+01  0.137216D+02  0.409858D+01 -0.168409D+01 -0.483681D+01
      2   0.181818D+01  0.215723D+01 -0.716971D+01  0.334666D+01 -0.153230D+02
      3  -0.215007D+01  0.535077D+01 -0.683823D+01  0.281868D+01 -0.373789D+01
                26            27            28            29            30 
      1   0.494935D+01 -0.361685D+01 -0.525659D+01  0.375883D+00 -0.180493D-01
      2   0.212273D+01  0.172625D+01  0.407564D+02  0.443399D+01 -0.377922D+01
      3   0.436534D+00 -0.851431D+00  0.185111D+02  0.783415D+01 -0.101875D+01
                31            32            33            34            35 
      1  -0.366927D+01 -0.282123D+01 -0.285849D+01  0.180488D+01 -0.134196D+00
      2   0.120740D+02  0.372784D+01 -0.120387D+01 -0.137456D+02 -0.132584D+01
      3   0.349787D+02  0.730099D+01  0.490879D+00 -0.108639D+01 -0.986172D+00
                36            37            38            39            40 
      1   0.311301D+01  0.390202D+01  0.924876D+00 -0.679323D+00  0.692290D+01
      2   0.138413D+01 -0.466592D+02 -0.369434D+01  0.127398D+02 -0.131457D+02
      3  -0.154859D+00 -0.155434D+02 -0.106258D+02  0.139352D+01 -0.884712D+01
                41            42            43            44            45 
      1   0.921263D+00 -0.464587D+01  0.211452D+01  0.866927D-02  0.823391D+00
      2  -0.245770D+01 -0.121849D+01 -0.135669D+02 -0.359343D+01 -0.645348D+01
      3  -0.586591D+01 -0.120761D+01  0.104024D-01  0.643585D+00  0.111019D+01
                46            47            48            49            50 
      1  -0.215283D+00 -0.200494D+01  0.227952D+01  0.621628D+01 -0.369784D+01
      2   0.123484D+02  0.315017D+01 -0.356955D+01 -0.555691D+01  0.215180D+01
      3   0.349139D+00  0.115685D+02 -0.454105D+01  0.232386D+02  0.152978D+01
                51            52            53            54            55 
      1  -0.723416D+01  0.255710D+01 -0.416750D+01  0.225747D+01 -0.121563D+01
      2   0.655098D+01 -0.502352D+02  0.414269D+00  0.292651D+02 -0.198244D+01
      3  -0.216350D+01 -0.559032D+01 -0.864673D+01 -0.160593D+01  0.306093D+00
                56            57            58            59            60 
      1   0.455348D+00 -0.416293D+00 -0.126938D+00  0.268826D+01 -0.160347D+01
      2   0.108227D+01  0.682121D+01  0.849140D+01 -0.865440D+01 -0.830850D+01
      3  -0.699988D+01 -0.633374D-01 -0.642312D+01  0.579343D+01  0.792995D+01
                61            62            63            64            65 
      1  -0.152660D+01  0.912356D+01 -0.387247D+00 -0.483442D+01  0.526340D+01
      2   0.301735D+02 -0.379722D+01 -0.449840D+02 -0.145663D+02  0.151173D+02
      3   0.482099D+01  0.125621D+02  0.278304D+01 -0.138630D+01 -0.403831D+01
                66            67            68            69            70 
      1  -0.453105D+01  0.747064D+01  0.268481D+01 -0.742900D+01 -0.724931D+01
      2   0.180962D+01  0.144184D+02  0.112722D+02  0.176129D+01 -0.973806D+01
      3  -0.106583D+02  0.534766D+01 -0.553043D+01 -0.172583D+02 -0.116771D+02
                71            72            73            74            75 
      1  -0.161047D+01  0.329961D+01 -0.173397D+01  0.546077D+01 -0.472759D+01
      2   0.443596D+01  0.611314D+01  0.746436D+01  0.178780D+01  0.120778D+02
      3  -0.158829D+02  0.126514D+01 -0.176134D+01 -0.122726D+02  0.826116D+00
                76            77            78            79            80 
      1   0.226280D+01  0.103388D+01  0.430633D+01 -0.395913D+01  0.897167D+01
      2   0.341395D+00  0.612238D+01 -0.319888D+01  0.459607D+01 -0.506497D+01
      3  -0.616399D+01 -0.108741D+02 -0.115657D+02  0.201000D+01 -0.105717D+02
                81            82            83            84            85 
      1   0.163063D+01 -0.345700D+01 -0.120824D+02  0.687450D+01 -0.145326D+02
      2  -0.128335D+02  0.743385D+01  0.677764D+01 -0.258612D+01  0.813053D+01
      3   0.860436D+01  0.150192D+01 -0.671646D+01 -0.532987D+01  0.631683D+01
                86            87            88            89            90 
      1   0.721533D+00 -0.364048D+01  0.467466D+01  0.242664D+01 -0.615851D+00
      2   0.416141D+01  0.171607D+01 -0.279596D+01  0.280295D+01 -0.123460D+01
      3   0.137155D+02  0.686602D+01 -0.721731D+00  0.121173D+02 -0.823896D+01
                91            92            93            94            95 
      1  -0.451551D+00  0.212851D+01  0.119034D+01 -0.578209D+01 -0.240114D+01
      2   0.184150D+02  0.277697D+01 -0.524859D+01  0.321510D+01 -0.152048D+02
      3  -0.664700D+01 -0.972164D+01 -0.252519D+01  0.125492D+02  0.182279D+02
                96            97            98            99           100 
      1  -0.794058D+01  0.443037D+01 -0.875876D+00  0.345028D+01 -0.810205D+00
      2   0.688550D+01 -0.238738D+02  0.315043D+01 -0.135204D+02 -0.452319D+01
      3   0.197390D+02 -0.382953D+01  0.113314D+02 -0.667197D+01  0.651212D+01
               101           102           103           104           105 
      1   0.192494D+01 -0.174338D+01  0.351516D+00  0.168908D+00 -0.133580D+01
      2  -0.131469D+00  0.524508D+01 -0.594591D+00 -0.868427D+00  0.728929D+00
      3  -0.649829D+01  0.786103D+00 -0.731738D+00 -0.109274D+00  0.590105D+00
               106           107           108           109           110 
      1  -0.930735D+00  0.549522D-01 -0.701322D+00 -0.684711D+00 -0.181393D+01
      2   0.121674D+01  0.962254D+00  0.222890D+01  0.391040D+01 -0.108666D+01
      3   0.258830D+00  0.749217D+00 -0.962907D-01 -0.169229D+01  0.213647D+01
               111           112           113           114           115 
      1   0.221851D+01 -0.845367D+00 -0.687776D+00 -0.131732D+01  0.356128D+00
      2  -0.606665D+01 -0.448040D+00  0.278609D+01  0.246682D+01 -0.510680D+01
      3   0.171238D+01  0.227897D+01 -0.846339D+00 -0.178305D+01  0.169676D+01
               116           117           118           119           120 
      1   0.259775D+01 -0.732832D+01  0.101052D+01  0.428048D+00  0.199894D+00
      2   0.410450D+01  0.218819D+02 -0.225433D+01 -0.525267D+00  0.191854D+00
      3  -0.369302D+01 -0.448533D+01  0.328146D+00 -0.114633D+01 -0.411704D+00
               121           122           123           124           125 
      1   0.747195D+00  0.155673D+01  0.475588D+00 -0.136214D+00  0.466069D+01
      2  -0.150330D+01 -0.448239D+00 -0.133070D+01 -0.428678D+01 -0.469284D+00
      3   0.227237D+01  0.334020D+00  0.616605D+00 -0.499734D+00  0.281495D+00
               126           127           128           129           130 
      1   0.353878D+01 -0.678909D+00  0.295110D+01  0.214687D+01  0.141938D+01
      2  -0.653052D+01 -0.523787D+00 -0.690994D+00  0.310013D+00 -0.152631D+01
      3   0.688358D+00 -0.827423D+01  0.884605D+01  0.118325D+01  0.830944D+01
               131           132           133           134           135 
      1  -0.450510D+01 -0.505493D+01  0.589460D-01 -0.253258D+01 -0.242098D+01
      2   0.394431D+00  0.601458D+00 -0.910324D+00  0.176006D+01  0.100289D+01
      3  -0.171944D+02 -0.180324D+01  0.270642D+01 -0.529316D+01 -0.197624D+01
               136           137           138           139           140 
      1   0.341133D+01  0.177966D+01 -0.520476D+01  0.218015D+01  0.200826D+01
      2  -0.826740D+00 -0.174443D+01  0.444484D+01 -0.197716D+01 -0.217291D+01
      3   0.360417D+01 -0.222025D+01 -0.973861D+00  0.117032D+00 -0.311213D+01
               141           142           143           144           145 
      1  -0.303792D+01 -0.452795D+01 -0.105803D+01  0.922030D+01  0.559191D+01
      2   0.246415D+01  0.489487D-01  0.289064D+01 -0.625838D+01  0.101931D+02
      3   0.545149D+00 -0.392117D+01  0.168110D+01  0.816505D+00  0.572868D+01
               146           147           148           149           150 
      1  -0.388009D+01 -0.463176D+01 -0.373525D+01  0.292101D+01  0.140171D+01
      2  -0.146784D+01 -0.513312D+01 -0.444962D+01  0.181741D+01  0.264218D+01
      3  -0.520130D+00 -0.335997D+01  0.288745D+00  0.490682D+00  0.100036D+01
               151           152           153           154           155 
      1  -0.485952D+01  0.344486D+01  0.725545D+01  0.169543D+01  0.512259D+00
      2  -0.833629D+01  0.102155D+01  0.854085D+01 -0.239643D+01 -0.108031D+01
      3  -0.351272D+01  0.110800D+01  0.392037D+01 -0.454973D+01 -0.282239D+01
               156           157           158           159           160 
      1   0.322662D+01 -0.179554D+00 -0.115870D+01 -0.207094D+01  0.131456D+01
      2   0.361367D+01  0.167175D+01  0.416141D+00 -0.695406D+00 -0.172341D+01
      3  -0.404892D+00  0.215185D+01  0.257672D+01  0.252895D+00 -0.256629D+01
               161           162           163           164           165 
      1   0.203821D+00  0.379664D+01 -0.230168D+01 -0.434909D+01 -0.332832D+01
      2  -0.716311D+00  0.359101D+01  0.182736D+01  0.132888D+01  0.234502D+00
      3  -0.364778D-01 -0.337084D+00  0.756524D+01  0.600888D+01  0.150613D+01
               166           167           168           169           170 
      1  -0.310705D+01 -0.916986D+01 -0.569852D+01 -0.219120D+01 -0.373983D+01
      2   0.100278D+01  0.171124D+01  0.325041D-02 -0.110731D+01  0.715571D-01
      3   0.734089D+01  0.132422D+02  0.242987D+01  0.397757D+01  0.664132D+01
               171           172           173           174           175 
      1  -0.456892D+01 -0.241849D+01 -0.241265D+01  0.245567D+01 -0.247159D+01
      2  -0.393803D+00 -0.133773D+01 -0.229257D+01  0.408883D+01 -0.266623D+01
      3   0.278507D+01 -0.401345D+01 -0.408957D+01  0.451706D+01 -0.302284D+01
               176           177           178           179           180 
      1  -0.720324D+01  0.365869D+01  0.333834D+01  0.608801D+01 -0.534474D+01
      2  -0.515663D+01  0.738291D+01  0.291770D+01  0.391600D+01 -0.110893D+02
      3  -0.109049D+02  0.723433D+01  0.451932D+01  0.784533D+01 -0.660870D+01
               181           182           183           184           185 
      1   0.645283D+00  0.752955D+00 -0.111398D+01  0.267601D-01  0.260118D+01
      2  -0.249140D+01 -0.509883D+01 -0.393419D+01 -0.308666D+01 -0.980030D+01
      3   0.451964D+01  0.588596D+01  0.453515D+01  0.318731D+01  0.163216D+02
               186           187           188           189           190 
      1  -0.219481D+01  0.542810D+00  0.195537D+01 -0.243071D+01  0.460103D+01
      2  -0.813630D+01 -0.195948D+01 -0.795135D+01 -0.984938D+01  0.112554D+02
      3   0.982753D+01  0.259621D+01  0.990808D+01  0.776388D+01  0.236694D+00
               191           192           193           194           195 
      1  -0.261852D+01  0.319247D+01 -0.280714D+01  0.169975D+01 -0.189656D+01
      2  -0.536103D+01  0.816575D+01 -0.478775D+01  0.217837D+01 -0.349879D+01
      3  -0.598837D+01  0.102317D+01 -0.278322D+01  0.518300D+01  0.559782D+00
               196           197           198           199           200 
      1   0.279240D+01 -0.420557D+00  0.245665D+01  0.361698D+00 -0.504158D+00
      2   0.646109D+01 -0.313460D+01  0.637021D+01  0.352089D+00  0.202036D+00
      3   0.188497D+01 -0.269225D+01  0.536916D+00  0.131458D+01  0.553166D-01
               201           202           203           204           205 
      1   0.102614D+00 -0.449176D+01  0.227661D-01 -0.108311D+01  0.612377D+00
      2  -0.409800D+00 -0.170240D+01 -0.188835D+01 -0.373079D-01 -0.368024D+01
      3   0.416622D+00  0.784882D+00  0.330710D+00  0.856762D+00  0.206074D+01
               206           207           208           209           210 
      1   0.286247D+01 -0.346360D+01  0.151493D+01 -0.960929D-02  0.798989D-01
      2   0.601465D+00 -0.269390D+01  0.115148D+01 -0.318056D+00 -0.739840D+00
      3   0.155863D+01 -0.113539D-01 -0.273804D+01 -0.617220D+00 -0.182609D+00
               211           212           213           214           215 
      1  -0.573349D+01  0.486090D+00 -0.435802D-01  0.190018D+01  0.439118D+01
      2   0.134226D+01  0.179967D+01  0.266330D+01 -0.285569D+01  0.243240D+01
      3   0.890659D+01 -0.137010D+00 -0.166674D+01 -0.279977D+01 -0.295348D+01
               216           217           218           219           220 
      1   0.395247D+00 -0.745393D-01 -0.635503D+00 -0.155713D+00  0.191809D+01
      2   0.105601D+02 -0.104392D+01 -0.185830D+01  0.508733D+00 -0.650383D+00
      3  -0.320218D+01 -0.331805D-01  0.295674D+01  0.211055D+01 -0.653365D+01
               221           222           223           224           225 
      1   0.561909D+01 -0.267663D+00  0.729235D-01  0.211555D+01  0.539306D-01
      2   0.959151D+01  0.757683D+01  0.351205D+01  0.601027D+01  0.793353D+01
      3  -0.322074D+02 -0.123918D+02 -0.103117D+01 -0.920199D+01 -0.672727D+01
               226           227           228           229           230 
      1  -0.432901D+00  0.569130D+00 -0.850420D+00  0.221884D+01 -0.299481D+01
      2  -0.396676D-01 -0.139815D+01  0.391366D+01 -0.407447D+01  0.842784D+01
      3   0.178210D+01 -0.276340D+01  0.204722D+01 -0.727945D+01  0.721814D+01
               231           232           233           234           235 
      1   0.246803D+01 -0.253427D+01  0.431009D+01 -0.457416D+01  0.155994D+01
      2  -0.117001D+02  0.887376D+01 -0.722466D+01  0.243570D+02 -0.160583D+02
      3  -0.108323D+02  0.423967D+01 -0.950360D+01  0.101417D+02  0.262480D+01
               236           237           238           239           240 
      1   0.124417D+00 -0.109541D+01  0.918807D+00  0.341358D+00 -0.540662D+00
      2  -0.974477D+00  0.112082D+02 -0.420700D+00 -0.825012D+00 -0.879160D+00
      3  -0.639460D+01 -0.409642D+00 -0.277302D+01 -0.869014D+00  0.509078D+00
               241           242           243 
      1  -0.122656D+01  0.832453D+00  0.763622D+00
      2   0.101179D+02 -0.829502D-01 -0.937393D+01
      3  -0.433992D+00  0.353583D+01  0.952407D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.705113D+01  0.631649D+01 -0.605229D+01  0.314921D+01  0.257495D+01
      2  -0.102614D+01 -0.152861D+02 -0.878424D+01 -0.114191D+02 -0.126351D+02
      3  -0.602498D+01  0.896959D+01  0.148365D+02  0.826988D+01  0.100601D+02
      4   0.138134D+02 -0.873769D+01  0.220938D+02 -0.589802D+01  0.626381D+01
      5  -0.172619D+02  0.183873D+02 -0.864400D+01  0.177303D+02  0.359345D+01
      6   0.137297D+02 -0.154214D+02  0.787967D+01 -0.106610D+02 -0.683094D+01
                 6             7             8             9            10 
      1   0.206681D+02 -0.665041D+01  0.207613D+02  0.171763D+01 -0.167109D+01
      2  -0.152275D+02 -0.927845D+01 -0.179395D+02  0.391874D+01  0.978370D+01
      3  -0.544060D+01  0.159289D+02 -0.282184D+01 -0.563637D+01 -0.811261D+01
      4  -0.616591D+01  0.228826D+02 -0.899088D+01  0.215734D+01 -0.153269D+02
      5   0.557791D+01 -0.797430D+01  0.797944D+01 -0.562360D+01  0.120761D+02
      6   0.367832D+01  0.650807D+01  0.237488D+01  0.191289D+01 -0.101195D+02
                11            12            13            14            15 
      1  -0.369188D+01  0.645525D+01 -0.718178D+01 -0.712286D+01 -0.196620D+02
      2   0.225963D+01  0.711686D+00  0.321170D+01  0.106892D+02  0.908669D+01
      3   0.143225D+01 -0.716694D+01  0.397009D+01 -0.356635D+01  0.105753D+02
      4   0.282777D+01 -0.180996D+02  0.687052D+01 -0.225883D+02 -0.783514D+01
      5  -0.155680D+02 -0.672410D+01 -0.172558D+02 -0.162784D+02  0.915035D+00
      6   0.819685D+01 -0.139233D+01 -0.172844D+01  0.943132D+00 -0.677382D+01
                16            17            18            19            20 
      1   0.451357D+01 -0.186125D+02 -0.670237D+01  0.411597D+02  0.811896D+01
      2   0.745558D+01  0.107767D+02 -0.157005D+01 -0.429483D+02 -0.114144D+02
      3  -0.119691D+02  0.783578D+01  0.827242D+01  0.178857D+01  0.329546D+01
      4  -0.263545D+02 -0.375735D+01  0.346402D+00  0.284787D+00 -0.109945D+02
      5  -0.770642D+01  0.801785D-01  0.317515D+01  0.461597D+01  0.269296D+01
      6  -0.165088D+01 -0.420639D+01 -0.418277D+00  0.743057D+01 -0.160939D+01
                21            22            23            24            25 
      1   0.224264D+01  0.182854D+02  0.479210D+01  0.550912D+01  0.252796D+01
      2  -0.184719D+01 -0.184045D+02 -0.124185D+02  0.156917D+01 -0.607731D+01
      3  -0.395448D+00  0.119052D+00  0.762639D+01 -0.707829D+01  0.354935D+01
      4   0.401295D+01 -0.340595D+02 -0.543162D+01 -0.300822D+01  0.101477D+02
      5   0.489868D+01  0.191010D+01  0.222884D+01  0.298000D+01  0.424351D+01
      6   0.181929D+01  0.708799D+01  0.440287D+01  0.196657D+01  0.228842D+01
                26            27            28            29            30 
      1   0.765458D+01  0.159253D+02 -0.120564D+03 -0.642371D+01  0.517285D+01
      2  -0.212810D+01  0.641265D+01  0.892459D+02  0.462442D+01 -0.205553D+01
      3  -0.552648D+01 -0.223380D+02  0.313186D+02  0.179929D+01 -0.311732D+01
      4  -0.585698D+01  0.645027D+01  0.365427D+01 -0.805374D+01  0.112132D+01
      5   0.412928D+01  0.546905D+01 -0.553079D+01  0.109695D+01 -0.106962D+02
      6   0.579827D+00 -0.131024D+00 -0.137264D+02 -0.455804D+01  0.114391D+01
                31            32            33            34            35 
      1  -0.291148D+02 -0.236602D+02  0.646405D+01 -0.281633D+02  0.246190D+01
      2   0.244875D+02  0.230474D+02 -0.458898D+01  0.179539D+02 -0.319553D+01
      3   0.462733D+01  0.612805D+00 -0.187506D+01  0.102094D+02  0.733637D+00
      4  -0.356522D+01 -0.705874D+01  0.163454D+01 -0.189168D+01  0.120423D+01
      5  -0.220191D+00 -0.356293D+00 -0.200170D+01 -0.145886D-01  0.139998D+01
      6  -0.341469D+01 -0.638090D+01  0.420659D+01 -0.171309D+01  0.301767D+00
                36            37            38            39            40 
      1  -0.325745D+01  0.147221D+03  0.106222D+02 -0.905468D+01  0.283488D+02
      2  -0.168992D+01 -0.105103D+03 -0.666608D+01  0.609543D+01 -0.144361D+02
      3   0.494738D+01 -0.421183D+02 -0.395616D+01  0.295925D+01 -0.139128D+02
      4   0.139122D+01 -0.393718D+01  0.145220D+02 -0.809881D+00  0.310704D+02
      5   0.269001D+01 -0.921369D+01 -0.225067D+01  0.189136D+02 -0.497631D+01
      6  -0.499265D+01  0.156128D+02  0.495331D+01 -0.269851D+01  0.114359D+02
                41            42            43            44            45 
      1   0.254185D+01  0.204614D+01  0.290164D+02  0.784595D+01  0.130288D+02
      2   0.304546D+01  0.349176D+01 -0.185470D+02 -0.281483D+01 -0.146820D+01
      3  -0.558732D+01 -0.553790D+01 -0.104695D+02 -0.503112D+01 -0.115606D+02
      4   0.688985D+01  0.400338D+01 -0.215783D+01  0.229981D+01 -0.627372D+01
      5   0.427795D+01 -0.474358D+01  0.252599D+02 -0.437064D+01 -0.851073D+01
      6   0.111044D+01  0.521683D+01 -0.222691D+01  0.260527D+01 -0.537053D+01
                46            47            48            49            50 
      1  -0.608604D+02 -0.488988D+01 -0.637618D+01  0.273600D+01 -0.300902D+01
      2   0.438001D+02 -0.155205D+01  0.204674D+00 -0.685406D+01  0.678610D+01
      3   0.170603D+02  0.644194D+01  0.617150D+01  0.411806D+01 -0.377707D+01
      4  -0.472125D+01 -0.144845D+02 -0.376400D+01  0.870603D+00  0.161856D+01
      5   0.400456D+01 -0.935709D+00 -0.132157D+02 -0.209042D+02  0.557225D+01
      6  -0.107101D+02 -0.213252D+01 -0.197657D+00  0.173811D+01 -0.490984D+01
                51            52            53            54            55 
      1  -0.707523D+01  0.480644D+02 -0.270958D+01 -0.147372D+02  0.295105D+02
      2   0.852144D+01 -0.444277D+02 -0.189129D+01  0.204047D+02 -0.170874D+02
      3  -0.144621D+01 -0.363665D+01  0.460087D+01 -0.566755D+01 -0.124230D+02
      4   0.689635D+01 -0.219997D+02  0.760017D+01  0.100422D+02 -0.714825D+01
      5   0.819815D+01 -0.574665D+02  0.505098D+01  0.456943D+02 -0.204658D+02
      6   0.348497D+01  0.121259D+02 -0.581378D+01 -0.674527D+01  0.168884D+01
                56            57            58            59            60 
      1  -0.294423D+01 -0.115746D+02 -0.222713D+02 -0.110783D+01  0.230907D+01
      2   0.252721D+01  0.773821D+01  0.142436D+02  0.130199D+01 -0.283976D+01
      3   0.417023D+00  0.383643D+01  0.802771D+01 -0.194162D+00  0.530694D+00
      4   0.117949D+02  0.430124D+01  0.216515D+02 -0.138687D+02 -0.201558D+02
      5   0.343112D+01  0.195421D+02  0.159790D+02 -0.197359D+02 -0.118713D+02
      6  -0.142550D+01 -0.125080D+01 -0.100045D+02  0.758983D+01  0.132626D+02
                61            62            63            64            65 
      1  -0.714491D+02 -0.390756D+01  0.913817D+00 -0.288203D+02  0.188005D+02
      2   0.551310D+02  0.281692D+01 -0.308971D+02  0.643058D+01 -0.370059D+01
      3   0.163181D+02  0.109065D+01  0.299833D+02  0.223897D+02 -0.150999D+02
      4   0.123857D+02 -0.175373D+02 -0.144449D+02  0.200305D+02 -0.577214D+01
      5   0.651493D+02 -0.876304D+01 -0.771188D+02 -0.154533D+02  0.222794D+02
      6  -0.108339D+02  0.143983D+02  0.863731D+01  0.803116D+01 -0.995923D+01
                66            67            68            69            70 
      1  -0.108296D+02  0.136883D+02  0.482890D+01  0.325137D+02 -0.209540D+02
      2  -0.113395D+01  0.146345D+01 -0.720849D-01 -0.242724D+02  0.127898D+01
      3   0.119635D+02 -0.151517D+02 -0.475681D+01 -0.824127D+01  0.196750D+02
      4   0.269107D+02 -0.102560D+02  0.589701D+01  0.118702D+02  0.329335D+02
      5   0.565743D+01  0.232226D+02  0.169351D+02 -0.128168D+02  0.359209D+01
      6  -0.815265D+01 -0.566479D+01 -0.101544D+02 -0.855406D+01 -0.703034D+01
                71            72            73            74            75 
      1   0.339970D+02  0.269321D+01 -0.471468D+02 -0.146135D+02 -0.118589D+02
      2  -0.242945D+02  0.984801D+00  0.196955D+02  0.820929D+01 -0.348152D+01
      3  -0.970249D+01 -0.367801D+01  0.274513D+02  0.640425D+01  0.153405D+02
      4   0.834122D+01 -0.601276D+01 -0.197899D+02  0.154384D+01 -0.312257D+01
      5  -0.972724D+01  0.629903D+01 -0.142121D+02 -0.372514D+01  0.971093D+01
      6  -0.844234D+01 -0.120199D+00 -0.253560D+01 -0.269914D+01  0.599342D+01
                76            77            78            79            80 
      1  -0.138452D+02  0.101663D+02 -0.385928D+01 -0.249910D+01 -0.230311D+01
      2   0.109158D+02 -0.519718D+01  0.101799D+02 -0.577057D+01  0.754827D+01
      3   0.292936D+01 -0.496912D+01 -0.632061D+01  0.826967D+01 -0.524516D+01
      4   0.109127D+02  0.248658D+02  0.136296D+02  0.564646D+00  0.685988D+01
      5  -0.494785D+01  0.210258D+02 -0.494661D+01  0.128735D+02 -0.518146D+01
      6   0.387781D+01  0.984130D+01  0.180242D+01  0.527550D+01 -0.429683D+00
                81            82            83            84            85 
      1   0.214648D+02 -0.101439D+02 -0.924828D+01 -0.913061D+01 -0.103581D+02
      2  -0.179875D+01  0.169789D+02  0.237720D+02  0.136560D+02  0.218395D+02
      3  -0.196660D+02 -0.683499D+01 -0.145238D+02 -0.452534D+01 -0.114815D+02
      4  -0.197036D+01  0.943926D+01  0.972511D+01  0.109242D+02  0.203756D+02
      5  -0.998014D+01  0.257399D+01  0.116034D+02 -0.146419D+02  0.116924D+02
      6  -0.810286D+01  0.162941D+01  0.128923D+02 -0.123501D+02  0.540542D+01
                86            87            88            89            90 
      1   0.104587D+02  0.951279D+01 -0.250158D+02  0.105187D+02 -0.908105D+01
      2  -0.102398D+02 -0.831222D+01  0.286087D+02 -0.817294D+01  0.527821D+01
      3  -0.218857D+00 -0.120057D+01 -0.359290D+01 -0.234575D+01  0.380284D+01
      4   0.993960D+01  0.563837D+01  0.211070D+02  0.131004D+02 -0.939831D+01
      5  -0.130987D+01 -0.786536D+00 -0.192153D+02 -0.506786D+01  0.570376D+01
      6  -0.623666D+01 -0.292671D+01 -0.160434D+02 -0.492290D+01  0.698009D+01
                91            92            93            94            95 
      1  -0.184116D+02  0.711604D+01  0.381691D+02  0.167777D+02  0.109122D+02
      2   0.757233D+01 -0.198637D+01 -0.180940D+02 -0.140424D+02 -0.956948D+01
      3   0.108393D+02 -0.512967D+01 -0.200751D+02 -0.273535D+01 -0.134271D+01
      4   0.122819D+02  0.116585D+02  0.108974D+02 -0.501092D+01 -0.286272D+02
      5   0.432843D+02  0.100193D+02 -0.377034D+01  0.122400D+02 -0.267697D+02
      6   0.621342D+01  0.414574D+01  0.237113D+01 -0.323897D+01 -0.960367D+01
                96            97            98            99           100 
      1   0.100895D+02  0.533908D+02  0.877447D+01 -0.203420D+02  0.833739D+02
      2  -0.155936D+02 -0.249101D+02 -0.115987D+02  0.148035D+02 -0.414768D+02
      3   0.550406D+01 -0.284807D+02  0.282427D+01  0.553849D+01 -0.418971D+02
      4  -0.286877D+02  0.113617D+02 -0.212622D+02  0.104806D+02  0.320955D+02
      5   0.168102D+02 -0.241995D+02  0.108547D+02 -0.283605D+02  0.256547D+02
      6  -0.876403D+01  0.318494D+01 -0.526070D+01  0.575934D+01  0.689844D+01
               101           102           103           104           105 
      1   0.135111D+02  0.132197D+02  0.639190D+01  0.740466D+01  0.109393D+01
      2  -0.380358D+01 -0.835958D+01 -0.509789D+00  0.597953D-01 -0.106732D+01
      3  -0.970751D+01 -0.486013D+01 -0.588211D+01 -0.746446D+01 -0.266105D-01
      4   0.184949D+02  0.719447D+01  0.149560D+02  0.654748D+01  0.203743D+01
      5   0.608811D+01  0.149269D+02  0.309074D+01  0.160895D+01  0.192623D+01
      6   0.420975D+01  0.397264D+01  0.295865D+01  0.620999D+00  0.223421D+01
               106           107           108           109           110 
      1   0.289781D+01  0.880018D+00  0.521849D+01  0.961047D+00  0.450275D+01
      2  -0.290065D+01 -0.203985D+01 -0.523186D+01 -0.273215D+01 -0.276750D+01
      3   0.283283D-02  0.115983D+01  0.133714D-01  0.177111D+01 -0.173525D+01
      4   0.215685D+01 -0.690705D+00  0.437326D+01  0.194242D+01 -0.197795D+01
      5   0.112510D+02  0.335119D+01  0.676659D+01  0.300974D+01  0.112962D+00
      6   0.286719D+01  0.182705D+01  0.291051D+01  0.280790D+01 -0.265631D+01
               111           112           113           114           115 
      1   0.100969D+02  0.189981D+01 -0.645361D+01 -0.306892D+01  0.749781D+01
      2   0.518285D+00 -0.140538D+01  0.221703D+01  0.109996D+01 -0.412142D+01
      3  -0.106152D+02 -0.494427D+00  0.423658D+01  0.196896D+01 -0.337640D+01
      4   0.116446D+01  0.110319D+01  0.813897D+00  0.315286D+01  0.340902D+01
      5  -0.367847D+01  0.128613D+01  0.200756D+01  0.379283D+01  0.577938D+01
      6  -0.471380D+01 -0.675645D+00  0.386806D+01  0.869527D+01  0.945262D+00
               116           117           118           119           120 
      1  -0.548878D+01 -0.229636D+02 -0.234762D+00 -0.192939D+00 -0.257452D+01
      2   0.713533D+00 -0.120965D+02 -0.376119D+01 -0.744470D-01 -0.461410D+00
      3   0.477525D+01  0.350601D+02  0.399595D+01  0.267386D+00  0.303593D+01
      4   0.734206D+01  0.658663D+01 -0.123049D+01  0.242212D+01 -0.119435D+00
      5   0.749933D+01  0.321497D+02 -0.852217D-01  0.870113D+00  0.583524D+01
      6   0.936740D+01  0.190461D+02  0.539135D+00  0.364396D+00 -0.250228D+00
               121           122           123           124           125 
      1   0.514520D+00 -0.582320D+01 -0.393998D+01 -0.187461D+01 -0.137462D+01
      2  -0.416488D+00  0.192077D+01 -0.203158D+01  0.103605D+01 -0.212568D+01
      3  -0.980318D-01  0.390243D+01  0.597157D+01  0.838560D+00  0.350030D+01
      4   0.186382D+01 -0.164674D+01 -0.163277D+01 -0.332033D+00 -0.248077D+01
      5   0.141501D+01 -0.191330D+01 -0.224649D+01  0.558817D+01 -0.166898D+01
      6   0.652585D-01  0.116209D+01  0.585925D+01 -0.628886D+00  0.534450D+01
               126           127           128           129           130 
      1  -0.247452D+02 -0.693378D+01  0.182761D+02  0.242918D+01  0.985587D+01
      2  -0.127246D+02  0.872358D+01 -0.257778D+02 -0.327728D+01 -0.124487D+02
      3   0.374699D+02 -0.178979D+01  0.750168D+01  0.848093D+00  0.259283D+01
      4  -0.333112D+01 -0.461189D+01  0.148772D+01 -0.578019D+00  0.550572D+01
      5  -0.112895D+02  0.429468D+00 -0.116789D+01  0.129172D+01 -0.102072D+01
      6  -0.903655D+00  0.141313D+01 -0.277448D+01 -0.238827D+01 -0.123321D+01
               131           132           133           134           135 
      1  -0.344442D+02 -0.344090D+01  0.462642D+01 -0.934304D+01 -0.503499D+01
      2   0.527997D+02  0.496935D+01 -0.454921D+01  0.129532D+02  0.601540D+01
      3  -0.183555D+02 -0.152845D+01 -0.772139D-01 -0.361020D+01 -0.980405D+00
      4   0.969465D+01  0.419421D-01  0.573004D+00  0.219037D+01  0.240260D+01
      5   0.101661D+01  0.258249D+01  0.315761D+01  0.303173D+01  0.837967D+00
      6   0.459285D+01  0.768151D+01  0.456043D+00  0.949876D+01  0.371900D+01
               136           137           138           139           140 
      1   0.110915D+02  0.119552D+01 -0.214763D+01  0.295590D+01 -0.592694D+01
      2  -0.398164D+01  0.304664D+01 -0.580092D+00  0.377567D+00  0.112205D+02
      3  -0.710985D+01 -0.424216D+01  0.272772D+01 -0.333347D+01 -0.529352D+01
      4   0.169216D+02  0.144832D+02 -0.113774D+02  0.108735D+02  0.132984D+02
      5  -0.151743D+02 -0.948551D+01  0.157023D+02 -0.652614D+01 -0.932477D+01
      6  -0.962363D+01 -0.893834D+01  0.106845D+02 -0.712127D+01 -0.103964D+02
               141           142           143           144           145 
      1   0.242022D+01  0.654096D-01  0.618593D+01 -0.542061D+01 -0.690000D+01
      2  -0.437171D+01 -0.290100D+01 -0.859125D+01 -0.593996D-02 -0.318449D+01
      3   0.195148D+01  0.283559D+01  0.240532D+01  0.542655D+01  0.100845D+02
      4  -0.982697D+01 -0.177724D+02 -0.167401D+02  0.154195D+02  0.626714D+01
      5   0.800191D+01  0.183435D+02  0.133836D+02 -0.229122D+02 -0.252000D+01
      6   0.986813D+01  0.141989D+02  0.163587D+02 -0.217079D+02 -0.343556D+01
               146           147           148           149           150 
      1  -0.348118D+01  0.108362D+02  0.864681D+00 -0.177667D+01 -0.570001D+01
      2   0.563124D+01  0.379498D+01  0.330616D+01 -0.498237D+00 -0.151046D+01
      3  -0.215006D+01 -0.146312D+02 -0.417084D+01  0.227491D+01  0.721047D+01
      4  -0.551559D+00 -0.583939D+01 -0.196492D+01  0.291121D+01  0.149564D+01
      5  -0.988390D+00  0.140377D+01 -0.521004D+00 -0.719113D+00  0.237650D+01
      6  -0.227827D+01  0.561940D+01 -0.128645D+01  0.261779D+01  0.672998D+00
               151           152           153           154           155 
      1   0.853925D+01 -0.798422D+00 -0.162737D+02  0.162013D+02 -0.170194D+01
      2   0.365886D+01 -0.197236D+01 -0.776274D+01 -0.800080D+01 -0.331048D+01
      3  -0.121981D+02  0.277078D+01  0.240365D+02 -0.820049D+01  0.501243D+01
      4  -0.749888D+01  0.243995D+01  0.479153D+01 -0.273805D+02  0.218409D+02
      5   0.367176D+01 -0.111759D+01  0.373951D+01  0.244154D+02 -0.142486D+02
      6   0.285647D+01  0.420311D+01 -0.891338D+01 -0.132787D+02  0.134215D+02
               156           157           158           159           160 
      1   0.229674D+01 -0.190079D+01 -0.292145D+01  0.122935D+01  0.416766D+01
      2  -0.366184D+01 -0.165693D+01  0.877380D+01 -0.149424D+01 -0.417874D+01
      3   0.136510D+01  0.355772D+01 -0.585235D+01  0.264884D+00  0.110784D-01
      4  -0.163029D+02  0.156484D+02 -0.165528D+02  0.104559D+02 -0.141029D+02
      5   0.204613D+02 -0.948612D+01  0.933524D+01 -0.832451D+01  0.170850D+02
      6  -0.134190D+02  0.931748D+01 -0.109244D+02  0.983436D+01 -0.104370D+02
               161           162           163           164           165 
      1   0.126751D+01 -0.213648D+01 -0.645666D+01 -0.115227D+02 -0.112082D+00
      2  -0.516335D+00 -0.471944D+01  0.826008D+01  0.172491D+02  0.346243D+01
      3  -0.751178D+00  0.685592D+01 -0.180342D+01 -0.572649D+01 -0.335035D+01
      4   0.111819D+02 -0.126952D+02  0.230929D+01  0.328240D+01 -0.943093D+00
      5  -0.110717D+02  0.182963D+02 -0.776288D+00 -0.411383D+01  0.189838D+00
      6   0.112182D+02 -0.143474D+02 -0.625781D+00  0.557527D-01  0.259588D+01
               166           167           168           169           170 
      1  -0.695046D+01 -0.235454D+02 -0.334961D+01 -0.274427D+01 -0.111110D+02
      2   0.103062D+02  0.392046D+02  0.742680D+01  0.449973D+01  0.171707D+02
      3  -0.335574D+01 -0.156592D+02 -0.407720D+01 -0.175546D+01 -0.605977D+01
      4   0.513699D+01 -0.810657D+01  0.446169D+00  0.687465D+00 -0.383115D+01
      5  -0.405535D+01 -0.473420D+01 -0.387215D+01  0.194932D+00 -0.362030D+01
      6   0.787728D+00 -0.181945D+01  0.632552D+01  0.105447D+01  0.462435D+01
               171           172           173           174           175 
      1  -0.420103D+01  0.171474D+02  0.475240D+01 -0.819833D+01  0.138718D+02
      2   0.562452D+01 -0.120656D+02 -0.520236D+01  0.943851D+01 -0.119370D+02
      3  -0.142349D+01 -0.508185D+01  0.449956D+00 -0.124019D+01 -0.193481D+01
      4  -0.822715D+00  0.314429D+01  0.652730D+01 -0.619941D+01  0.687131D+01
      5  -0.296265D+01 -0.130683D+02 -0.862589D+01  0.134606D+02 -0.162955D+02
      6   0.556413D+01 -0.184775D+01 -0.717370D+00  0.116026D+01 -0.942198D+00
               176           177           178           179           180 
      1   0.371061D+01 -0.875564D+01 -0.942744D+01 -0.606231D+01  0.525802D+01
      2  -0.592128D+01  0.133172D+02  0.122234D+02  0.969667D+01 -0.167046D+02
      3   0.221066D+01 -0.456160D+01 -0.279594D+01 -0.363436D+01  0.114466D+02
      4   0.163426D+02 -0.987818D+01 -0.650537D+01 -0.102541D+02  0.828334D+01
      5  -0.121114D+02  0.195485D+02  0.187053D+02  0.115365D+02 -0.286480D+02
      6  -0.548866D+01  0.402162D+01  0.930569D+00  0.569892D+01 -0.114046D+01
               181           182           183           184           185 
      1  -0.409948D+01 -0.125747D+02 -0.709641D+01 -0.942697D+01 -0.202273D+02
      2   0.335217D+01  0.914477D+01  0.276116D+01  0.419896D+01  0.207088D+02
      3   0.747304D+00  0.342994D+01  0.433525D+01  0.522801D+01 -0.481489D+00
      4  -0.814026D+00 -0.390712D+01 -0.459168D+01  0.691878D+01 -0.236161D+02
      5   0.241864D+01 -0.367338D+01 -0.404683D+01  0.246995D+01 -0.131040D+02
      6   0.205623D+01  0.753899D+01  0.679562D+01 -0.108024D+00  0.203376D+02
               186           187           188           189           190 
      1  -0.146777D+02 -0.354410D+01 -0.151932D+02 -0.134804D+02  0.687536D+02
      2   0.875679D+01  0.243341D+01  0.913508D+01  0.262943D+01 -0.268428D+02
      3   0.592093D+01  0.111069D+01  0.605811D+01  0.108510D+02 -0.419107D+02
      4  -0.133682D+02  0.197923D+00 -0.129433D+02 -0.957544D+01 -0.377897D+02
      5  -0.111514D+02  0.403295D+01 -0.953824D+01 -0.148829D+02  0.240406D+01
      6   0.161522D+02  0.696834D+00  0.154207D+02  0.151612D+02 -0.134233D+01
               191           192           193           194           195 
      1  -0.199151D+02  0.996982D+01 -0.195320D+02  0.101187D+02 -0.511222D+01
      2   0.331507D+01 -0.199820D+01  0.251904D+01  0.107271D+01  0.133376D+01
      3   0.166000D+02 -0.797162D+01  0.170130D+02 -0.111914D+02  0.377846D+01
      4   0.221583D+02 -0.684786D+01  0.241549D+02 -0.185668D+02  0.268038D+01
      5  -0.248656D+01  0.108646D+02 -0.205826D+01 -0.417652D-01 -0.336685D+01
      6   0.194945D+00 -0.298898D+01 -0.474569D-01  0.101952D+01  0.382848D+01
               196           197           198           199           200 
      1   0.274754D+02 -0.970518D+01  0.854601D+01 -0.162116D+01 -0.868052D+00
      2  -0.884737D+01  0.169510D+01 -0.335721D+01  0.188905D+01  0.685982D+00
      3  -0.186280D+02  0.801008D+01 -0.518880D+01 -0.267891D+00  0.182070D+00
      4  -0.186909D+02  0.110921D+02 -0.583381D+01  0.616009D+00  0.111259D+01
      5   0.946880D+01 -0.336452D+01  0.956656D+01 -0.461441D+00  0.541378D+00
      6  -0.280482D+01  0.308149D+01 -0.385920D+01  0.109812D+01 -0.525366D-01
               201           202           203           204           205 
      1  -0.970942D+00 -0.230634D+01 -0.115779D+01 -0.420389D+01 -0.566983D+01
      2   0.839345D+00 -0.148976D+01  0.528065D+00  0.223820D+01  0.273770D+01
      3   0.131597D+00  0.379609D+01  0.629727D+00  0.196569D+01  0.293213D+01
      4   0.871274D+00  0.235577D+00 -0.102091D+01 -0.171212D+01  0.100446D+01
      5   0.165816D+01  0.542101D+00 -0.976316D+00 -0.598482D+00  0.996026D+00
      6   0.575322D-01 -0.116720D+01  0.321694D+01  0.331619D+01  0.123433D+01
               206           207           208           209           210 
      1  -0.566305D+01 -0.123074D+02  0.224324D+01  0.211524D+01  0.536627D+01
      2   0.399298D+01  0.174542D+01 -0.334718D+01 -0.122309D+01 -0.205504D+01
      3   0.167008D+01  0.105620D+02  0.110395D+01 -0.892146D+00 -0.331124D+01
      4  -0.127250D+01 -0.243989D+01  0.255595D+01  0.113102D+01  0.150960D+01
      5  -0.159375D+01 -0.431341D+01  0.512589D+01  0.170559D+01  0.432867D+01
      6   0.478237D+01  0.690168D+01  0.171723D+01 -0.213798D+00  0.505441D+00
               211           212           213           214           215 
      1   0.257467D+01 -0.402290D+01 -0.369851D+01  0.228633D+01 -0.409348D+01
      2  -0.407804D+01  0.540904D+00 -0.179536D+01 -0.396580D+01 -0.511812D+00
      3   0.150337D+01  0.348199D+01  0.549387D+01  0.167946D+01  0.460529D+01
      4  -0.243119D+01  0.140062D+01  0.215223D+01  0.336852D+01  0.377894D+01
      5   0.471302D+01  0.289707D+01  0.640987D+01  0.821806D+01  0.527750D+01
      6  -0.147013D+01  0.273443D+01  0.415032D+01  0.228727D+01  0.623074D+01
               216           217           218           219           220 
      1  -0.186947D+02  0.280751D+01  0.816818D+01 -0.174875D+00  0.206851D+02
      2  -0.846788D+01 -0.120110D+00 -0.544111D+01 -0.193002D-01 -0.626158D+01
      3   0.271626D+02 -0.268740D+01 -0.272707D+01  0.194175D+00 -0.144235D+02
      4   0.407009D+01  0.342176D+01  0.880302D-01 -0.143989D+01  0.212151D+02
      5   0.214195D+02 -0.255210D+01 -0.786406D+00  0.336678D-01  0.916066D+01
      6   0.591838D+01  0.212778D+01 -0.126793D+01 -0.152048D+01  0.482548D+01
               221           222           223           224           225 
      1  -0.848498D+01 -0.323412D+01  0.665520D+01 -0.348765D+01  0.142759D+01
      2   0.207102D+02  0.451393D+01 -0.378566D+01  0.309776D+01 -0.163065D+01
      3  -0.122252D+02 -0.127981D+01 -0.286954D+01  0.389892D+00  0.203060D+00
      4   0.573256D+02  0.215345D+02  0.451468D+01  0.167787D+02  0.116707D+02
      5   0.200926D+02  0.151706D+02  0.133002D+02  0.118268D+02  0.179675D+02
      6   0.171618D+02  0.113993D+02  0.219033D+01  0.983326D+01  0.642809D+01
               226           227           228           229           230 
      1   0.160607D+02 -0.653439D+01  0.660488D+01 -0.190848D+02  0.186542D+01
      2  -0.113015D+02  0.404118D+01 -0.524680D+01  0.124122D+02 -0.187133D+01
      3  -0.475922D+01  0.249321D+01 -0.135808D+01  0.667262D+01  0.590614D-02
      4  -0.728229D+01  0.405193D+01 -0.524959D+01  0.127618D+02 -0.143784D+02
      5   0.848896D+01 -0.596411D+01  0.112319D+02 -0.163805D+02  0.183075D+02
      6  -0.284425D+01  0.566951D+00 -0.847632D+00  0.439570D+01 -0.607156D+01
               231           232           233           234           235 
      1  -0.540027D+01  0.227010D+02  0.993054D-01  0.979250D+01  0.955483D+02
      2   0.961986D+01 -0.176316D+02  0.504543D+01 -0.213930D+02 -0.453862D+02
      3  -0.421958D+01 -0.506941D+01 -0.514474D+01  0.116005D+02 -0.501621D+02
      4   0.193953D+02 -0.496065D+01  0.186091D+02 -0.160776D+02  0.657117D+01
      5  -0.252538D+02  0.329031D+02 -0.148349D+02  0.544167D+02 -0.188657D+02
      6   0.861850D+01 -0.271430D+01  0.725428D+01 -0.673985D+01 -0.290421D+01
               236           237           238           239           240 
      1   0.219584D+01 -0.228934D+02 -0.417164D+01  0.853792D+01 -0.666407D+00
      2   0.154899D+00  0.992806D+01  0.316699D+01 -0.265988D+01  0.957694D+00
      3  -0.235074D+01  0.129653D+02  0.100465D+01 -0.587804D+01 -0.291287D+00
      4   0.129846D+02 -0.273362D+01  0.131391D+02  0.297044D+01 -0.193301D+01
      5  -0.182552D+01  0.167855D+02 -0.804136D+00 -0.152391D+01 -0.230987D+01
      6   0.163793D+00  0.157170D+01 -0.270679D+00  0.580264D+00  0.222183D+01
               241           242           243 
      1  -0.483407D+02 -0.258190D+01  0.190724D+02
      2   0.229681D+02  0.116157D+01 -0.106186D+02
      3   0.253727D+02  0.142032D+01 -0.845382D+01
      4  -0.502790D+01 -0.720155D+01  0.410179D+00
      5   0.217124D+02 -0.164254D+00 -0.167282D+02
      6   0.229961D+01  0.173000D+01 -0.246304D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 11:38:40 2021, MaxMem=  5368709120 cpu:           22783.5 elap:            2852.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.24497 -10.38690 -10.31925 -10.31710 -10.30933
 Alpha  occ. eigenvalues --  -10.30173 -10.30071 -10.29945 -10.29510 -10.29161
 Alpha  occ. eigenvalues --  -10.28655  -1.12728  -0.96738  -0.89047  -0.84612
 Alpha  occ. eigenvalues --   -0.83487  -0.78398  -0.76913  -0.70760  -0.68555
 Alpha  occ. eigenvalues --   -0.62754  -0.60918  -0.57136  -0.56675  -0.54956
 Alpha  occ. eigenvalues --   -0.53806  -0.53128  -0.52473  -0.50645  -0.49580
 Alpha  occ. eigenvalues --   -0.48024  -0.47789  -0.47028  -0.45174  -0.44917
 Alpha  occ. eigenvalues --   -0.44183  -0.43124  -0.40187  -0.39157  -0.38208
 Alpha  occ. eigenvalues --   -0.34016  -0.33379
 Alpha virt. eigenvalues --    0.01185   0.08093   0.09422   0.10197   0.10684
 Alpha virt. eigenvalues --    0.12208   0.12272   0.12926   0.13881   0.14536
 Alpha virt. eigenvalues --    0.15208   0.15353   0.16249   0.16640   0.17741
 Alpha virt. eigenvalues --    0.18118   0.18452   0.19138   0.19717   0.20525
 Alpha virt. eigenvalues --    0.20823   0.21611   0.21877   0.22825   0.23177
 Alpha virt. eigenvalues --    0.23407   0.23962   0.24701   0.25630   0.26056
 Alpha virt. eigenvalues --    0.27066   0.27521   0.28287   0.28631   0.28806
 Alpha virt. eigenvalues --    0.29718   0.30406   0.30532   0.31350   0.32169
 Alpha virt. eigenvalues --    0.32915   0.33295   0.34566   0.35521   0.36289
 Alpha virt. eigenvalues --    0.36573   0.37036   0.37356   0.37825   0.38042
 Alpha virt. eigenvalues --    0.38267   0.39219   0.39522   0.40046   0.40451
 Alpha virt. eigenvalues --    0.40651   0.40833   0.41667   0.41830   0.42254
 Alpha virt. eigenvalues --    0.42503   0.42837   0.43053   0.43289   0.44083
 Alpha virt. eigenvalues --    0.44476   0.44680   0.45541   0.45627   0.46311
 Alpha virt. eigenvalues --    0.46506   0.46948   0.47034   0.47894   0.48447
 Alpha virt. eigenvalues --    0.49088   0.49316   0.49616   0.50300   0.50496
 Alpha virt. eigenvalues --    0.51083   0.51400   0.51926   0.52889   0.52995
 Alpha virt. eigenvalues --    0.53570   0.54269   0.54732   0.55113   0.55338
 Alpha virt. eigenvalues --    0.56211   0.56378   0.56699   0.56953   0.57542
 Alpha virt. eigenvalues --    0.58647   0.59081   0.59269   0.59831   0.59892
 Alpha virt. eigenvalues --    0.60343   0.60926   0.61266   0.61942   0.62615
 Alpha virt. eigenvalues --    0.63094   0.63819   0.64202   0.64598   0.65065
 Alpha virt. eigenvalues --    0.65622   0.66811   0.67238   0.67730   0.68289
 Alpha virt. eigenvalues --    0.68913   0.69862   0.70126   0.70532   0.71051
 Alpha virt. eigenvalues --    0.71721   0.72520   0.72762   0.73730   0.74094
 Alpha virt. eigenvalues --    0.74927   0.75786   0.76352   0.77552   0.78333
 Alpha virt. eigenvalues --    0.79246   0.79323   0.80336   0.81793   0.82757
 Alpha virt. eigenvalues --    0.84282   0.85056   0.86378   0.86579   0.87705
 Alpha virt. eigenvalues --    0.88555   0.89641   0.90227   0.91166   0.94241
 Alpha virt. eigenvalues --    0.97118   0.97647   1.00221   1.01075   1.03148
 Alpha virt. eigenvalues --    1.03482   1.03773   1.04168   1.05352   1.06399
 Alpha virt. eigenvalues --    1.06555   1.08165   1.08767   1.09180   1.09634
 Alpha virt. eigenvalues --    1.10170   1.10248   1.12676   1.13316   1.13789
 Alpha virt. eigenvalues --    1.14309   1.15086   1.16689   1.17799   1.18608
 Alpha virt. eigenvalues --    1.20831   1.22068   1.24051   1.25388   1.26488
 Alpha virt. eigenvalues --    1.27684   1.28523   1.30830   1.32618   1.34349
 Alpha virt. eigenvalues --    1.35961   1.36881   1.38258   1.39843   1.40447
 Alpha virt. eigenvalues --    1.41522   1.42991   1.44087   1.44709   1.45743
 Alpha virt. eigenvalues --    1.47859   1.48337   1.51793   1.52875   1.53321
 Alpha virt. eigenvalues --    1.55259   1.56623   1.58128   1.60264   1.62176
 Alpha virt. eigenvalues --    1.65471   1.65503   1.67523   1.68425   1.69026
 Alpha virt. eigenvalues --    1.71696   1.72284   1.75080   1.75493   1.76098
 Alpha virt. eigenvalues --    1.77892   1.79498   1.81794   1.83341   1.84947
 Alpha virt. eigenvalues --    1.85963   1.86507   1.86787   1.89192   1.90436
 Alpha virt. eigenvalues --    1.92419   1.93846   1.94362   1.95252   1.96806
 Alpha virt. eigenvalues --    1.99562   1.99778   2.00731   2.03842   2.06447
 Alpha virt. eigenvalues --    2.06782   2.07326   2.08872   2.09845   2.10791
 Alpha virt. eigenvalues --    2.12362   2.12889   2.13851   2.14688   2.16205
 Alpha virt. eigenvalues --    2.17710   2.18878   2.20808   2.21870   2.22984
 Alpha virt. eigenvalues --    2.23434   2.23576   2.26929   2.28437   2.30168
 Alpha virt. eigenvalues --    2.30807   2.31876   2.32624   2.33675   2.35375
 Alpha virt. eigenvalues --    2.37411   2.38894   2.39845   2.42129   2.45455
 Alpha virt. eigenvalues --    2.46358   2.48026   2.50124   2.51456   2.52844
 Alpha virt. eigenvalues --    2.55606   2.56606   2.59600   2.60688   2.62775
 Alpha virt. eigenvalues --    2.63165   2.64032   2.64994   2.68349   2.68874
 Alpha virt. eigenvalues --    2.72894   2.73448   2.75726   2.76362   2.79664
 Alpha virt. eigenvalues --    2.81544   2.84105   2.85510   2.92043   2.93118
 Alpha virt. eigenvalues --    2.95926   2.98985   3.01928   3.05242   3.07072
 Alpha virt. eigenvalues --    3.08002   3.09097   3.11962   3.13887   3.14096
 Alpha virt. eigenvalues --    3.17245   3.18007   3.20523   3.23234   3.23799
 Alpha virt. eigenvalues --    3.26487   3.27423   3.29181   3.29854   3.31400
 Alpha virt. eigenvalues --    3.37839   3.43602   3.63260   3.91670
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.658904  -1.070251  -0.095168  -0.034289  -0.018898   0.005718
     2  C   -1.070251  11.885705  -0.618325  -0.205783   0.215120  -0.002365
     3  C   -0.095168  -0.618325   7.087447   0.032270  -0.547545   0.123852
     4  C   -0.034289  -0.205783   0.032270   7.059852  -0.396570   0.025167
     5  C   -0.018898   0.215120  -0.547545  -0.396570   9.168511  -0.560004
     6  C    0.005718  -0.002365   0.123852   0.025167  -0.560004   5.761976
     7  O    0.001264  -0.005704   0.016315  -0.114566  -0.084750   0.330332
     8  C   -0.214729  -0.290327   0.057807   0.021260  -0.000415  -0.000262
     9  C   -0.049549  -0.437257   0.166629   0.102068  -0.016473   0.000187
    10  C    0.034225   0.402542  -0.223470  -0.120087   0.086258  -0.001883
    11  C    0.000171  -0.000539   0.001875   0.052160  -0.110766   0.551902
    12  H    0.121401  -0.229723   0.005810   0.019061  -0.000980  -0.000099
    13  H   -0.099277   0.063788   0.132507   0.002700  -0.002887   0.000497
    14  H    0.168701  -0.697646  -0.342591  -0.520031  -0.340261   0.031784
    15  H    0.003281  -0.060230  -0.059387  -0.111738   0.009346   0.000356
    16  H   -0.010007   0.104891   0.073408   0.040558   0.003748   0.000085
    17  H    0.409044  -0.072675  -0.078787   0.016735   0.022742  -0.000402
    18  H   -0.078429   0.325011   0.011014  -0.002389   0.001748  -0.000022
    19  H    0.043602   0.188286   0.020834   0.002804  -0.014358  -0.001614
    20  H    0.000406   0.304934  -0.020655  -0.006659   0.000937   0.000006
    21  H    0.015789   0.127809  -0.012794   0.005448  -0.000067  -0.000064
    22  H    0.028862   0.187590   0.015421   0.002036  -0.000099  -0.000010
    23  H   -0.001343  -0.172727   0.159011  -0.103878  -1.098427   0.060921
    24  H   -0.012096  -0.000452  -0.129514  -0.059893   0.371322  -0.459641
    25  H    0.000124  -0.000244   0.002471  -0.000534  -0.017219   0.086668
    26  H    0.000006  -0.000051   0.001987   0.001469  -0.024343   0.093735
    27  H   -0.000027   0.000019  -0.000461  -0.002908   0.060434   0.117783
               7          8          9         10         11         12
     1  C    0.001264  -0.214729  -0.049549   0.034225   0.000171   0.121401
     2  C   -0.005704  -0.290327  -0.437257   0.402542  -0.000539  -0.229723
     3  C    0.016315   0.057807   0.166629  -0.223470   0.001875   0.005810
     4  C   -0.114566   0.021260   0.102068  -0.120087   0.052160   0.019061
     5  C   -0.084750  -0.000415  -0.016473   0.086258  -0.110766  -0.000980
     6  C    0.330332  -0.000262   0.000187  -0.001883   0.551902  -0.000099
     7  O    8.240753   0.000068   0.000222  -0.000014  -0.050278   0.000035
     8  C    0.000068   4.912447  -0.033977  -0.032214   0.000012  -0.104906
     9  C    0.000222  -0.033977   5.204313  -0.095762   0.000023   0.234698
    10  C   -0.000014  -0.032214  -0.095762   4.952648  -0.000142   0.030313
    11  C   -0.050278   0.000012   0.000023  -0.000142   4.307813   0.000001
    12  H    0.000035  -0.104906   0.234698   0.030313   0.000001   1.793559
    13  H    0.000334   0.063687   0.068898  -0.070550  -0.000003  -0.471144
    14  H    0.000795  -0.105037   0.124420  -0.166532   0.001200   0.023216
    15  H    0.000909  -0.010939   0.045398   0.307903   0.000031   0.112075
    16  H   -0.000028   0.025715  -0.061615   0.102458  -0.000014  -0.166129
    17  H   -0.001743   0.011861  -0.038154   0.026286  -0.000017   0.006767
    18  H    0.000044   0.015879   0.029248  -0.011398  -0.000007  -0.001210
    19  H   -0.000095   0.007249  -0.000684  -0.005793   0.000045   0.000354
    20  H    0.000003   0.264705  -0.039641  -0.002959   0.000000  -0.027481
    21  H   -0.000008   0.055671   0.002840   0.007562   0.000007   0.001485
    22  H   -0.000009  -0.041687   0.000183   0.000366   0.000000   0.040710
    23  H    0.041805   0.008262  -0.003954  -0.093309   0.006781   0.005236
    24  H    0.045247   0.001957   0.000011   0.001190  -0.079079  -0.000021
    25  H    0.000140   0.000000   0.000006  -0.000006   0.269675   0.000000
    26  H   -0.002472   0.000002   0.000003  -0.000019   0.273000   0.000000
    27  H    0.008255  -0.000000  -0.000000   0.000004   0.259082  -0.000000
              13         14         15         16         17         18
     1  C   -0.099277   0.168701   0.003281  -0.010007   0.409044  -0.078429
     2  C    0.063788  -0.697646  -0.060230   0.104891  -0.072675   0.325011
     3  C    0.132507  -0.342591  -0.059387   0.073408  -0.078787   0.011014
     4  C    0.002700  -0.520031  -0.111738   0.040558   0.016735  -0.002389
     5  C   -0.002887  -0.340261   0.009346   0.003748   0.022742   0.001748
     6  C    0.000497   0.031784   0.000356   0.000085  -0.000402  -0.000022
     7  O    0.000334   0.000795   0.000909  -0.000028  -0.001743   0.000044
     8  C    0.063687  -0.105037  -0.010939   0.025715   0.011861   0.015879
     9  C    0.068898   0.124420   0.045398  -0.061615  -0.038154   0.029248
    10  C   -0.070550  -0.166532   0.307903   0.102458   0.026286  -0.011398
    11  C   -0.000003   0.001200   0.000031  -0.000014  -0.000017  -0.000007
    12  H   -0.471144   0.023216   0.112075  -0.166129   0.006767  -0.001210
    13  H    1.272892  -0.025106  -0.164319   0.095230   0.008512  -0.007417
    14  H   -0.025106   3.342981   0.149425  -0.166230   0.003587  -0.001744
    15  H   -0.164319   0.149425   1.676187  -0.422618   0.001104   0.000368
    16  H    0.095230  -0.166230  -0.422618   1.253226  -0.000094  -0.000220
    17  H    0.008512   0.003587   0.001104  -0.000094   0.882927  -0.120898
    18  H   -0.007417  -0.001744   0.000368  -0.000220  -0.120898   0.754084
    19  H   -0.004703   0.006471   0.000304  -0.000622  -0.039562  -0.036545
    20  H    0.000194  -0.046262  -0.001404   0.015952  -0.002529  -0.000531
    21  H   -0.001354   0.024618   0.001335   0.000111   0.001919  -0.013301
    22  H   -0.005353  -0.001269   0.001188  -0.001889   0.006369   0.002511
    23  H    0.000219   0.127883   0.013445  -0.003582  -0.028729   0.005510
    24  H    0.000398  -0.145121  -0.002889   0.001745  -0.000172   0.000261
    25  H    0.000000   0.000308   0.000002  -0.000001  -0.000002   0.000000
    26  H   -0.000000   0.000506   0.000017  -0.000003   0.000001   0.000000
    27  H    0.000000  -0.000089  -0.000002   0.000000  -0.000001   0.000000
              19         20         21         22         23         24
     1  C    0.043602   0.000406   0.015789   0.028862  -0.001343  -0.012096
     2  C    0.188286   0.304934   0.127809   0.187590  -0.172727  -0.000452
     3  C    0.020834  -0.020655  -0.012794   0.015421   0.159011  -0.129514
     4  C    0.002804  -0.006659   0.005448   0.002036  -0.103878  -0.059893
     5  C   -0.014358   0.000937  -0.000067  -0.000099  -1.098427   0.371322
     6  C   -0.001614   0.000006  -0.000064  -0.000010   0.060921  -0.459641
     7  O   -0.000095   0.000003  -0.000008  -0.000009   0.041805   0.045247
     8  C    0.007249   0.264705   0.055671  -0.041687   0.008262   0.001957
     9  C   -0.000684  -0.039641   0.002840   0.000183  -0.003954   0.000011
    10  C   -0.005793  -0.002959   0.007562   0.000366  -0.093309   0.001190
    11  C    0.000045   0.000000   0.000007   0.000000   0.006781  -0.079079
    12  H    0.000354  -0.027481   0.001485   0.040710   0.005236  -0.000021
    13  H   -0.004703   0.000194  -0.001354  -0.005353   0.000219   0.000398
    14  H    0.006471  -0.046262   0.024618  -0.001269   0.127883  -0.145121
    15  H    0.000304  -0.001404   0.001335   0.001188   0.013445  -0.002889
    16  H   -0.000622   0.015952   0.000111  -0.001889  -0.003582   0.001745
    17  H   -0.039562  -0.002529   0.001919   0.006369  -0.028729  -0.000172
    18  H   -0.036545  -0.000531  -0.013301   0.002511   0.005510   0.000261
    19  H    0.648818  -0.003833   0.012005  -0.009140   0.013247   0.002474
    20  H   -0.003833   0.691725  -0.038470  -0.037870   0.000614   0.000110
    21  H    0.012005  -0.038470   0.632357  -0.028726  -0.001276  -0.000531
    22  H   -0.009140  -0.037870  -0.028726   0.714151  -0.000280  -0.000002
    23  H    0.013247   0.000614  -0.001276  -0.000280   1.967383   0.040317
    24  H    0.002474   0.000110  -0.000531  -0.000002   0.040317   1.285339
    25  H    0.000020   0.000000  -0.000001  -0.000000   0.001266  -0.029833
    26  H    0.000016   0.000000  -0.000000  -0.000000   0.001989  -0.031183
    27  H    0.000006   0.000000  -0.000000   0.000000  -0.000709   0.011316
              25         26         27
     1  C    0.000124   0.000006  -0.000027
     2  C   -0.000244  -0.000051   0.000019
     3  C    0.002471   0.001987  -0.000461
     4  C   -0.000534   0.001469  -0.002908
     5  C   -0.017219  -0.024343   0.060434
     6  C    0.086668   0.093735   0.117783
     7  O    0.000140  -0.002472   0.008255
     8  C    0.000000   0.000002  -0.000000
     9  C    0.000006   0.000003  -0.000000
    10  C   -0.000006  -0.000019   0.000004
    11  C    0.269675   0.273000   0.259082
    12  H    0.000000   0.000000  -0.000000
    13  H    0.000000  -0.000000   0.000000
    14  H    0.000308   0.000506  -0.000089
    15  H    0.000002   0.000017  -0.000002
    16  H   -0.000001  -0.000003   0.000000
    17  H   -0.000002   0.000001  -0.000001
    18  H    0.000000   0.000000   0.000000
    19  H    0.000020   0.000016   0.000006
    20  H    0.000000   0.000000   0.000000
    21  H   -0.000001  -0.000000  -0.000000
    22  H   -0.000000  -0.000000   0.000000
    23  H    0.001266   0.001989  -0.000709
    24  H   -0.029833  -0.031183   0.011316
    25  H    0.511260   0.042091   0.004941
    26  H    0.042091   0.515046   0.003467
    27  H    0.004941   0.003467   0.576281
 Mulliken charges:
               1
     1  C    1.192565
     2  C   -3.941396
     3  C    0.220038
     4  C    0.295737
     5  C   -0.706107
     6  C   -0.164604
     7  O   -0.426853
     8  C    1.387911
     9  C    0.797919
    10  C    0.872383
    11  C    0.517066
    12  H   -0.393028
    13  H    0.142256
    14  H   -0.447976
    15  H   -0.489145
    16  H    0.115923
    17  H   -0.014092
    18  H    0.128431
    19  H    0.170414
    20  H   -0.051292
    21  H    0.207635
    22  H    0.126946
    23  H    0.054322
    24  H    0.188738
    25  H    0.128864
    26  H    0.124736
    27  H   -0.037392
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.477318
     2  C   -3.941396
     3  C   -0.227938
     4  C    0.350060
     5  C   -0.517369
     6  C   -0.164604
     7  O   -0.426853
     8  C    1.671200
     9  C    0.547148
    10  C    0.499161
    11  C    0.733274
 Electronic spatial extent (au):  <R**2>=           2494.3510
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.7544    Y=             -0.7286    Z=             -2.6351  Tot=              3.2484
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -68.8503   YY=            -68.9989   ZZ=            -70.9599
   XY=              3.2260   XZ=              8.6235   YZ=             -0.3985
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.7528   YY=              0.6041   ZZ=             -1.3569
   XY=              3.2260   XZ=              8.6235   YZ=             -0.3985
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -10.1681  YYY=              0.1416  ZZZ=             -3.1600  XYY=             -3.4029
  XXY=             -9.6090  XXZ=            -26.5673  XZZ=              6.5966  YZZ=             -0.6168
  YYZ=              0.4645  XYZ=              0.9236
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2497.1940 YYYY=           -459.2829 ZZZZ=           -370.0783 XXXY=             29.1356
 XXXZ=             77.1062 YYYX=              1.7284 YYYZ=              5.9818 ZZZX=              9.2250
 ZZZY=              0.4062 XXYY=           -503.5360 XXZZ=           -520.6263 YYZZ=           -138.4301
 XXYZ=            -18.1888 YYXZ=             -1.4116 ZZXY=              5.5239
 N-N= 6.093199872037D+02 E-N=-2.296664892992D+03  KE= 4.599741395131D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 11:38:41 2021, MaxMem=  5368709120 cpu:               2.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 7.01089548D-01-2.70004810D-01-9.90123062D-01
 Polarizability= 1.61281272D+02 5.03064875D+00 1.04214168D+02
                 3.11105867D+00 3.14748124D+00 1.08318591D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.4308   -1.4304        2.6573    2.6584
 2      1.4308    1.4304       -1.4925   -1.4915      -30.6493  -30.6459
 3     -2.6573   -2.6584       28.7402   28.7352        1.4920    1.4915
 4      1.4925    1.4915       -0.0000    0.0000       -2.6585   -2.6584
 5      1.9091    1.9107        2.6585    2.6584       -1.4305   -1.4304
 6     -1.4920   -1.4915        1.4305    1.4304       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        4.2913    4.2913        7.9751    7.9751
 2      4.4745    4.4745        0.0000    0.0000        7.9751    7.9751
 3      4.4745    4.4745        4.2913    4.2913       -0.0000    0.0000
 4      4.2913    4.2913       -4.4745   -4.4745      -91.9376  -91.9376
 5     -7.9751   -7.9751       86.2056   86.2056        4.4745    4.4745
 6      5.7321    5.7321        7.9751    7.9751       -4.2913   -4.2913
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1441    0.0000        6.1461    5.7217      -10.2694  -10.6334
 2     -5.2087   -5.7217        5.9973    5.9660      122.9320  122.5835
 3     10.6149   10.6334     -114.9461 -114.9408       -6.0328   -5.9660
 4     -5.7434   -5.9660       -0.4034    0.0000       10.6881   10.6334
 5     -7.5816   -7.6427      -10.4235  -10.6334        5.8178    5.7217
 6      6.0352    5.9660       -5.9828   -5.7217       -0.0826    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2560    0.0000       28.9564   28.7168      -24.7610  -24.4043
 2    -28.5809  -28.7168      -35.0610  -35.2298        3.4734    2.8173
 3     23.9208   24.4043       43.0507   42.6713       35.5480   35.2298
 4     35.0506   35.2298        0.0167    0.0000       24.7128   24.4043
 5    -45.7306  -45.4886      -24.0296  -24.4043       28.6729   28.7168
 6    -34.8796  -35.2298      -29.0662  -28.7168        0.0137    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     57.6478   57.7316       25.4577   25.5193      -13.1847  -13.1700
 2     86.4114   86.5229       47.7602   47.2851      -12.9348  -13.1700
 3     86.2007   86.5229       26.0227   25.5193      -10.7188  -11.0721
 4    -21.5623  -21.7658      -28.7358  -28.7913       22.5258   22.3828
 5      1.7722    2.0979       35.5259   35.1613       28.9991   28.7913
 6    -58.1658  -57.5441       -0.9192   -2.0979       21.9547   21.7658
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.0699    0.0006    0.0006    0.0008    6.4673   13.2568
 Low frequencies ---   36.6930   64.8476   73.6485
 Diagonal vibrational polarizability:
       20.6008396      63.2096190       8.5645609
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     36.6879                64.8091                73.6407
 Red. masses --      3.3641                 3.4367                 3.4989
 Frc consts  --      0.0027                 0.0085                 0.0112
 IR Inten    --      3.0385                 1.0106                 1.0091
 RamAct Fr= 1--      1.6060                 0.6841                 0.5780
  Dep-P Fr= 1--      0.7355                 0.7458                 0.5480
  Dep-U Fr= 1--      0.8476                 0.8544                 0.7080
 Alpha2 Fr= 1--      0.0004                 0.0000                 0.0022
 Beta2  Fr= 1--      0.2269                 0.0974                 0.0682
 AlphaG Fr= 1--     -0.0027                 0.0010                 0.0142
 Gamma2 Fr= 1--     -0.1343                 0.0527                 0.5701
 Delta2 Fr= 1--      0.0293                 0.0226                 0.1496
 Raman1 Fr= 1--       6.424                  2.736                  2.312
 ROA1   Fr= 1--     -11.955                  5.782                 59.513
 CID1   Fr= 1--      -1.861                  2.113                 25.741
 Raman2 Fr= 1--       2.722                  1.169                  0.818
 ROA2   Fr= 1--      -3.458                  1.085                 12.484
 CID2   Fr= 1--      -1.270                  0.928                 15.254
 Raman3 Fr= 1--       5.445                  2.338                  1.637
 ROA3   Fr= 1--     -11.955                  5.782                 59.513
 CID3   Fr= 1--      -2.196                  2.473                 36.357
 RC180  Fr= 1--       0.695                  0.709                  0.416
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.04   0.09     0.10  -0.13  -0.09    -0.20  -0.00  -0.06
     2   6     0.04   0.01   0.02     0.04  -0.02  -0.00    -0.07   0.01   0.01
     3   6    -0.01  -0.09  -0.00    -0.00  -0.11  -0.03     0.03   0.03  -0.11
     4   6    -0.01  -0.11   0.01     0.00  -0.12  -0.02     0.02   0.07  -0.13
     5   6    -0.02  -0.03  -0.00    -0.03  -0.05  -0.01     0.01  -0.01  -0.07
     6   6    -0.02  -0.00  -0.00    -0.02   0.07   0.01     0.07  -0.04   0.03
     7   8     0.02  -0.18   0.06     0.00   0.20  -0.03     0.17  -0.12   0.06
     8   6     0.06   0.01   0.04     0.17   0.14   0.03     0.06   0.01   0.13
     9   6    -0.02   0.07  -0.05    -0.14   0.01   0.07    -0.14   0.01   0.07
    10   6    -0.08  -0.03  -0.08    -0.09  -0.05  -0.01     0.05   0.00  -0.08
    11   6    -0.08   0.28  -0.08    -0.04   0.01   0.07    -0.01   0.04   0.10
    12   1    -0.02   0.13  -0.08    -0.16   0.09   0.21    -0.14  -0.02   0.25
    13   1    -0.01   0.10  -0.05    -0.28  -0.04   0.03    -0.31   0.03  -0.00
    14   1    -0.02  -0.14   0.01     0.00  -0.12  -0.03     0.07  -0.00  -0.11
    15   1    -0.12  -0.04  -0.11    -0.15  -0.06  -0.09     0.06   0.06  -0.21
    16   1    -0.11  -0.04  -0.11    -0.03  -0.06   0.03     0.19  -0.09  -0.01
    17   1     0.11   0.03   0.08     0.00  -0.25  -0.12    -0.28  -0.01  -0.14
    18   1     0.15   0.11   0.10     0.12  -0.05  -0.05    -0.27  -0.02   0.03
    19   1     0.15  -0.02   0.14     0.24  -0.16  -0.17    -0.14   0.02  -0.14
    20   1     0.00  -0.01  -0.01     0.12   0.22   0.09     0.15   0.01   0.18
    21   1     0.09  -0.04   0.09     0.30   0.12  -0.04     0.13   0.02   0.07
    22   1     0.09   0.09   0.04     0.18   0.22   0.07    -0.01   0.01   0.24
    23   1     0.01  -0.17   0.03     0.02  -0.12  -0.01     0.02   0.13  -0.15
    24   1    -0.05   0.05  -0.03    -0.06  -0.05  -0.01    -0.03  -0.06  -0.05
    25   1    -0.20   0.33  -0.27    -0.09  -0.04   0.21    -0.04   0.08  -0.01
    26   1    -0.01   0.46   0.03    -0.02  -0.10  -0.01    -0.09   0.13   0.18
    27   1    -0.07   0.27  -0.07    -0.04   0.14   0.08     0.05  -0.02   0.19
                      4                      5                      6
                      A                      A                      A
 Frequencies --    115.7161               140.6741               151.7900
 Red. masses --      1.0817                 2.6931                 3.1542
 Frc consts  --      0.0085                 0.0314                 0.0428
 IR Inten    --      0.0006                 0.3762                 1.5852
 RamAct Fr= 1--      0.4406                 1.3144                 0.6059
  Dep-P Fr= 1--      0.7339                 0.7500                 0.5843
  Dep-U Fr= 1--      0.8465                 0.8571                 0.7376
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0019
 Beta2  Fr= 1--      0.0622                 0.1878                 0.0745
 AlphaG Fr= 1--     -0.0010                -0.0000                -0.0056
 Gamma2 Fr= 1--     -0.0877                 0.1828                -0.1654
 Delta2 Fr= 1--      0.0518                 0.2623                -0.0270
 Raman1 Fr= 1--       1.762                  5.258                  2.423
 ROA1   Fr= 1--      -6.761                 25.946                -16.738
 CID1   Fr= 1--      -3.836                  4.935                 -6.907
 Raman2 Fr= 1--       0.746                  2.253                  0.894
 ROA2   Fr= 1--      -2.518                  2.289                 -3.752
 CID2   Fr= 1--      -3.376                  1.016                 -4.198
 Raman3 Fr= 1--       1.492                  4.507                  1.788
 ROA3   Fr= 1--      -6.761                 25.946                -16.738
 CID3   Fr= 1--      -4.532                  5.757                 -9.364
 RC180  Fr= 1--       0.693                  0.714                  0.475
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.01     0.03   0.02   0.06     0.03  -0.06  -0.02
     2   6    -0.00   0.01  -0.00     0.01  -0.01   0.01    -0.01  -0.02   0.01
     3   6     0.00   0.02  -0.00     0.00  -0.03  -0.00    -0.01  -0.04  -0.01
     4   6     0.00   0.01  -0.00    -0.01  -0.07  -0.06     0.03   0.08   0.10
     5   6     0.01  -0.04   0.01    -0.07   0.25  -0.17    -0.01   0.22   0.08
     6   6     0.00  -0.01   0.00    -0.00   0.07  -0.05    -0.03   0.05   0.04
     7   8     0.01  -0.04   0.01     0.09  -0.05  -0.00    -0.14  -0.08   0.07
     8   6    -0.01   0.00  -0.01     0.01  -0.05   0.03     0.04   0.03   0.02
     9   6     0.00   0.00   0.00     0.02  -0.00  -0.01    -0.06   0.00  -0.01
    10   6     0.01   0.01   0.00    -0.06  -0.00   0.06     0.09  -0.06  -0.17
    11   6    -0.00   0.04  -0.01    -0.04  -0.07   0.08     0.08  -0.06  -0.08
    12   1     0.00  -0.00   0.00     0.02   0.02  -0.08    -0.06  -0.02   0.16
    13   1     0.00  -0.00   0.00     0.09  -0.02   0.03    -0.23   0.08  -0.08
    14   1    -0.00   0.02  -0.00     0.06   0.01  -0.02    -0.12  -0.13   0.02
    15   1     0.01   0.01   0.01    -0.11  -0.06   0.13     0.18   0.07  -0.36
    16   1     0.01   0.01   0.01    -0.11   0.10   0.06     0.19  -0.30  -0.19
    17   1    -0.01   0.01  -0.01     0.05   0.04   0.07    -0.02  -0.12  -0.03
    18   1    -0.02  -0.01  -0.01     0.05   0.05   0.06     0.04  -0.03  -0.01
    19   1    -0.02   0.01  -0.02     0.03  -0.01   0.10     0.09  -0.08  -0.05
    20   1    -0.00   0.01  -0.00    -0.00  -0.07  -0.00     0.02   0.05   0.03
    21   1    -0.01   0.01  -0.01     0.01  -0.07   0.06     0.09   0.01   0.01
    22   1    -0.01  -0.01  -0.01     0.01  -0.02   0.04     0.05   0.08   0.04
    23   1    -0.01   0.05  -0.01     0.01  -0.38   0.04     0.12  -0.01   0.13
    24   1     0.02  -0.07   0.02    -0.14   0.53  -0.25    -0.01   0.33   0.05
    25   1    -0.23  -0.18   0.49    -0.04  -0.16   0.31     0.20  -0.09   0.03
    26   1     0.33  -0.34  -0.33    -0.08  -0.28  -0.06     0.15  -0.15  -0.15
    27   1    -0.09   0.54  -0.17    -0.01   0.04   0.12     0.00  -0.09  -0.19
                      7                      8                      9
                      A                      A                      A
 Frequencies --    218.2932               244.6938               261.5399
 Red. masses --      1.2307                 1.9476                 2.7532
 Frc consts  --      0.0346                 0.0687                 0.1110
 IR Inten    --      0.1584                 0.6104                 0.2316
 RamAct Fr= 1--      0.1744                 0.3828                 5.4707
  Dep-P Fr= 1--      0.3631                 0.5072                 0.2372
  Dep-U Fr= 1--      0.5327                 0.6730                 0.3834
 Alpha2 Fr= 1--      0.0015                 0.0018                 0.0672
 Beta2  Fr= 1--      0.0155                 0.0429                 0.3496
 AlphaG Fr= 1--     -0.0016                 0.0014                -0.0124
 Gamma2 Fr= 1--      0.3678                 0.1908                -0.0385
 Delta2 Fr= 1--     -0.0405                 0.1037                 0.0147
 Raman1 Fr= 1--       0.698                  1.531                 21.883
 ROA1   Fr= 1--      34.018                 21.633                 -3.230
 CID1   Fr= 1--      48.754                 14.129                 -0.148
 Raman2 Fr= 1--       0.186                  0.515                  4.195
 ROA2   Fr= 1--       9.152                  3.749                 -1.043
 CID2   Fr= 1--      49.242                  7.276                 -0.248
 Raman3 Fr= 1--       0.372                  1.031                  8.391
 ROA3   Fr= 1--      34.018                 21.633                 -3.230
 CID3   Fr= 1--      91.518                 20.993                 -0.385
 RC180  Fr= 1--       0.065                  0.346                 -0.233
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.01   0.05    -0.08   0.04  -0.07    -0.06   0.02   0.01
     2   6    -0.02  -0.01   0.01     0.03   0.00  -0.06    -0.04   0.01  -0.00
     3   6    -0.01   0.02   0.00     0.02   0.01  -0.04    -0.03  -0.05  -0.00
     4   6    -0.02   0.05  -0.02     0.02  -0.04   0.00     0.06  -0.11   0.08
     5   6    -0.00  -0.00  -0.02    -0.02   0.01   0.05     0.07   0.01   0.03
     6   6    -0.00  -0.00  -0.01    -0.03   0.01   0.05     0.10   0.02   0.02
     7   8     0.02  -0.01  -0.01    -0.09   0.00   0.04     0.10   0.04   0.02
     8   6    -0.05   0.01  -0.04     0.13  -0.07   0.07    -0.11  -0.03  -0.04
     9   6    -0.01  -0.03   0.02     0.06   0.00  -0.07    -0.12   0.05  -0.00
    10   6     0.04  -0.01   0.01    -0.06   0.03   0.04    -0.15   0.01  -0.02
    11   6    -0.02   0.00   0.01     0.01  -0.00  -0.02     0.19   0.01  -0.07
    12   1    -0.01  -0.05   0.08     0.06   0.01  -0.22    -0.13   0.12   0.02
    13   1    -0.06  -0.03   0.01     0.21  -0.03  -0.01    -0.15   0.02  -0.01
    14   1     0.00   0.02   0.00     0.01   0.07  -0.06    -0.08  -0.06   0.00
    15   1     0.06   0.02  -0.02    -0.12  -0.06   0.17    -0.23  -0.04  -0.02
    16   1     0.06  -0.04   0.01    -0.13   0.19   0.05    -0.16   0.06  -0.00
    17   1    -0.28  -0.13  -0.22    -0.36   0.01  -0.33    -0.09   0.01  -0.03
    18   1     0.08   0.41   0.37    -0.18   0.23   0.23    -0.07   0.05   0.05
    19   1     0.53  -0.29   0.06     0.20  -0.09  -0.14    -0.02  -0.01   0.00
    20   1     0.04   0.05   0.06     0.33  -0.09   0.15     0.09   0.03   0.11
    21   1    -0.14   0.13  -0.15     0.17  -0.03  -0.02    -0.29   0.20  -0.22
    22   1    -0.11  -0.16  -0.08    -0.00  -0.16   0.23    -0.22  -0.34  -0.10
    23   1    -0.04   0.10  -0.04     0.08  -0.06   0.01     0.10  -0.23   0.12
    24   1     0.01  -0.05  -0.00    -0.06   0.04   0.04     0.07   0.13  -0.00
    25   1    -0.03  -0.00   0.01     0.05   0.00  -0.02     0.27   0.03  -0.08
    26   1    -0.03  -0.00   0.01     0.05   0.00  -0.02     0.28   0.03  -0.07
    27   1    -0.00   0.01   0.03    -0.02  -0.02  -0.06     0.11  -0.03  -0.18
                     10                     11                     12
                      A                      A                      A
 Frequencies --    272.7936               333.8646               358.9876
 Red. masses --      1.1290                 2.3561                 2.3208
 Frc consts  --      0.0495                 0.1547                 0.1762
 IR Inten    --      0.0620                 2.0228                 0.6498
 RamAct Fr= 1--      0.6383                 0.9840                 1.3767
  Dep-P Fr= 1--      0.2183                 0.2073                 0.6658
  Dep-U Fr= 1--      0.3583                 0.3434                 0.7993
 Alpha2 Fr= 1--      0.0083                 0.0131                 0.0021
 Beta2  Fr= 1--      0.0381                 0.0563                 0.1834
 AlphaG Fr= 1--     -0.0028                -0.0041                 0.0125
 Gamma2 Fr= 1--     -0.0186                -0.9263                -0.4418
 Delta2 Fr= 1--     -0.0439                -0.1448                -0.2865
 Raman1 Fr= 1--       2.553                  3.936                  5.507
 ROA1   Fr= 1--      -3.190                -93.555                -51.580
 CID1   Fr= 1--      -1.249                -23.770                 -9.366
 Raman2 Fr= 1--       0.457                  0.676                  2.201
 ROA2   Fr= 1--      -0.095                -21.071                 -8.310
 CID2   Fr= 1--      -0.208                -31.180                 -3.776
 Raman3 Fr= 1--       0.915                  1.352                  4.402
 ROA3   Fr= 1--      -3.190                -93.555                -51.580
 CID3   Fr= 1--      -3.486                -69.218                -11.718
 RC180  Fr= 1--      -0.283                 -0.313                  0.599
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01     0.13   0.04   0.03     0.09  -0.16  -0.05
     2   6    -0.02  -0.01  -0.02     0.02  -0.01  -0.08    -0.04  -0.00   0.05
     3   6    -0.01   0.01  -0.01     0.03   0.04  -0.11    -0.05   0.00   0.04
     4   6     0.01   0.01   0.01     0.02   0.06  -0.11    -0.06   0.16  -0.01
     5   6     0.01   0.00   0.01    -0.03   0.00   0.01    -0.00   0.02  -0.01
     6   6     0.03   0.01   0.01    -0.02   0.01   0.06     0.02   0.02  -0.02
     7   8     0.03   0.01   0.01    -0.07   0.00   0.06     0.07  -0.02   0.00
     8   6    -0.02  -0.02  -0.01     0.03  -0.13  -0.01    -0.01  -0.05   0.11
     9   6    -0.03  -0.02  -0.00    -0.12  -0.03   0.06     0.02   0.05  -0.07
    10   6    -0.03   0.01   0.02    -0.03   0.04   0.06    -0.10   0.02  -0.01
    11   6     0.05   0.00  -0.02     0.04   0.00  -0.02     0.03  -0.00  -0.02
    12   1    -0.03  -0.01  -0.00    -0.14   0.05   0.27     0.03   0.03  -0.27
    13   1    -0.02  -0.05   0.01    -0.30  -0.20   0.02     0.20   0.13  -0.02
    14   1    -0.03   0.03  -0.01     0.08   0.12  -0.14    -0.05  -0.06   0.05
    15   1    -0.06  -0.02   0.05    -0.10  -0.01   0.08    -0.16  -0.06   0.09
    16   1    -0.03   0.05   0.04     0.05   0.13   0.16    -0.20   0.14  -0.04
    17   1    -0.14  -0.04  -0.11     0.36   0.12   0.20     0.10  -0.37   0.08
    18   1    -0.02   0.14   0.12     0.26   0.03  -0.17     0.17  -0.19  -0.21
    19   1     0.15  -0.10  -0.01    -0.04   0.03   0.21     0.13  -0.10  -0.17
    20   1    -0.41  -0.15  -0.34     0.16  -0.22  -0.04     0.12  -0.09   0.14
    21   1     0.14  -0.38   0.36    -0.04  -0.11   0.01    -0.01  -0.03   0.09
    22   1     0.21   0.46  -0.03    -0.05  -0.22   0.06    -0.10  -0.11   0.21
    23   1     0.01   0.03   0.00     0.08   0.14  -0.13    -0.12   0.37  -0.08
    24   1     0.02  -0.01   0.01    -0.10  -0.08   0.04     0.06  -0.17   0.05
    25   1     0.08   0.01  -0.02     0.09   0.01  -0.02     0.08  -0.00  -0.00
    26   1     0.08   0.01  -0.02     0.09   0.01  -0.02     0.03  -0.02  -0.03
    27   1     0.03  -0.01  -0.05    -0.02  -0.03  -0.09     0.02  -0.03  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    363.0272               415.0673               440.3594
 Red. masses --      2.2433                 2.9342                 2.2953
 Frc consts  --      0.1742                 0.2978                 0.2622
 IR Inten    --      0.3907                 2.8074                 0.5366
 RamAct Fr= 1--      0.7033                 1.7998                 0.3827
  Dep-P Fr= 1--      0.5235                 0.1177                 0.7427
  Dep-U Fr= 1--      0.6872                 0.2106                 0.8524
 Alpha2 Fr= 1--      0.0031                 0.0302                 0.0000
 Beta2  Fr= 1--      0.0805                 0.0632                 0.0544
 AlphaG Fr= 1--      0.0048                -0.0219                 0.0036
 Gamma2 Fr= 1--      0.2493                 0.5470                 0.4289
 Delta2 Fr= 1--      0.0244                 0.1317                 0.1240
 Raman1 Fr= 1--       2.813                  7.199                  1.531
 ROA1   Fr= 1--      24.710                 56.727                 45.143
 CID1   Fr= 1--       8.784                  7.880                 29.488
 Raman2 Fr= 1--       0.967                  0.758                  0.652
 ROA2   Fr= 1--       5.787                 12.074                  9.301
 CID2   Fr= 1--       5.987                 15.925                 14.255
 Raman3 Fr= 1--       1.933                  1.516                  1.305
 ROA3   Fr= 1--      24.710                 56.727                 45.143
 CID3   Fr= 1--      12.782                 37.409                 34.595
 RC180  Fr= 1--       0.374                 -0.579                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.02   0.12     0.02   0.07   0.02    -0.05   0.02   0.00
     2   6    -0.05  -0.08  -0.00    -0.05  -0.05  -0.14     0.12  -0.03   0.03
     3   6    -0.02  -0.07  -0.04    -0.11   0.05   0.04     0.08  -0.12   0.03
     4   6    -0.03   0.07  -0.09    -0.04   0.08   0.20     0.06   0.12   0.02
     5   6    -0.04   0.01  -0.01     0.06   0.03   0.05     0.07   0.06   0.03
     6   6     0.00   0.04   0.04     0.03  -0.03  -0.09     0.01   0.06  -0.06
     7   8     0.02  -0.00   0.06     0.09  -0.01  -0.09    -0.04  -0.06  -0.03
     8   6     0.05   0.15  -0.03     0.12  -0.03  -0.01     0.03  -0.03  -0.10
     9   6     0.03  -0.11  -0.04    -0.08  -0.11  -0.06    -0.03   0.05   0.04
    10   6    -0.04  -0.08   0.03    -0.04  -0.01   0.00    -0.10  -0.04   0.01
    11   6     0.08  -0.00  -0.04    -0.05  -0.00   0.01    -0.05  -0.00   0.04
    12   1     0.04  -0.18  -0.20    -0.08  -0.11   0.04    -0.05   0.22   0.10
    13   1     0.18  -0.08   0.01    -0.15  -0.21  -0.07    -0.10  -0.02   0.02
    14   1     0.02  -0.08  -0.04    -0.31   0.14   0.04     0.06  -0.20   0.05
    15   1    -0.09  -0.17   0.15     0.06   0.05   0.02    -0.27  -0.16   0.02
    16   1    -0.09   0.07   0.05    -0.03  -0.09  -0.02    -0.12   0.10   0.05
    17   1     0.05   0.19   0.12     0.14   0.24   0.05    -0.12   0.13  -0.12
    18   1    -0.04   0.03   0.11     0.08   0.16  -0.01    -0.19  -0.10   0.14
    19   1    -0.17  -0.01   0.27    -0.08  -0.02   0.25    -0.09   0.09  -0.06
    20   1    -0.02   0.35   0.15     0.26  -0.01   0.08    -0.07  -0.02  -0.13
    21   1     0.22   0.20  -0.23     0.31  -0.06  -0.11    -0.10   0.01  -0.06
    22   1     0.08   0.20  -0.05     0.01   0.02   0.21     0.10  -0.09  -0.27
    23   1    -0.03   0.23  -0.14    -0.07   0.08   0.19     0.06   0.41  -0.07
    24   1    -0.08  -0.14   0.03     0.26   0.05   0.04     0.17  -0.20   0.11
    25   1     0.19   0.01  -0.03    -0.16  -0.02   0.02    -0.07  -0.03   0.10
    26   1     0.15  -0.01  -0.05    -0.15  -0.01   0.02    -0.24  -0.07   0.02
    27   1     0.00  -0.07  -0.14     0.04   0.06   0.14     0.06  -0.01   0.20
                     16                     17                     18
                      A                      A                      A
 Frequencies --    487.0436               588.0546               618.5416
 Red. masses --      2.7530                 2.5204                 3.7164
 Frc consts  --      0.3848                 0.5135                 0.8378
 IR Inten    --      8.7908                 2.6738                17.6514
 RamAct Fr= 1--      1.0962                 2.2128                 8.7692
  Dep-P Fr= 1--      0.4528                 0.0314                 0.1283
  Dep-U Fr= 1--      0.6233                 0.0610                 0.2274
 Alpha2 Fr= 1--      0.0066                 0.0457                 0.1432
 Beta2  Fr= 1--      0.1139                 0.0225                 0.3324
 AlphaG Fr= 1--     -0.0126                -0.1339                 0.0788
 Gamma2 Fr= 1--     -0.4243                -0.1965                 0.5890
 Delta2 Fr= 1--     -0.2601                -0.1885                -0.4205
 Raman1 Fr= 1--       4.385                  8.851                 35.077
 ROA1   Fr= 1--     -49.056                -24.894                 43.087
 CID1   Fr= 1--     -11.188                 -2.813                  1.228
 Raman2 Fr= 1--       1.367                  0.270                  3.988
 ROA2   Fr= 1--      -8.102                 -3.207                 17.500
 CID2   Fr= 1--      -5.929                -11.886                  4.388
 Raman3 Fr= 1--       2.733                  0.540                  7.976
 ROA3   Fr= 1--     -49.056                -24.894                 43.087
 CID3   Fr= 1--     -17.949                -46.131                  5.402
 RC180  Fr= 1--       0.247                 -0.878                 -0.545
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.08   0.06     0.02   0.06  -0.05    -0.03  -0.07   0.06
     2   6    -0.12  -0.02   0.01    -0.06   0.05  -0.03     0.00  -0.03   0.02
     3   6     0.07   0.03  -0.13    -0.01  -0.01  -0.02     0.08   0.03  -0.09
     4   6     0.17  -0.00  -0.00     0.03  -0.10   0.02     0.08  -0.01   0.04
     5   6     0.13   0.03   0.06     0.03  -0.10   0.02    -0.02   0.00   0.16
     6   6     0.07  -0.06  -0.03    -0.02   0.27  -0.09    -0.15   0.05   0.01
     7   8    -0.12  -0.01  -0.06    -0.02  -0.09   0.02     0.20   0.03   0.05
     8   6    -0.08   0.06   0.06    -0.06   0.03   0.05     0.00  -0.00  -0.01
     9   6    -0.03  -0.04  -0.05     0.01  -0.04   0.01    -0.01   0.02  -0.02
    10   6    -0.02   0.05  -0.02     0.02  -0.01   0.01     0.04   0.09  -0.02
    11   6    -0.03   0.02   0.07     0.02   0.04   0.01    -0.23  -0.08  -0.18
    12   1    -0.01  -0.17  -0.18     0.02  -0.12  -0.04    -0.01  -0.01   0.04
    13   1     0.11   0.06  -0.01     0.06  -0.04   0.03    -0.06   0.07  -0.04
    14   1     0.06   0.02  -0.13    -0.01   0.01  -0.02     0.08   0.02  -0.09
    15   1    -0.15  -0.10   0.12     0.06   0.03  -0.01    -0.07  -0.04   0.11
    16   1    -0.04   0.30   0.06     0.05  -0.06   0.01     0.02   0.29   0.05
    17   1     0.06  -0.17   0.17     0.06  -0.00   0.01    -0.03  -0.08   0.07
    18   1     0.12   0.03  -0.06     0.10   0.12  -0.13    -0.03  -0.07   0.06
    19   1     0.03  -0.15   0.13     0.05   0.02  -0.02    -0.03  -0.08   0.07
    20   1    -0.12   0.14   0.12     0.00  -0.01   0.04    -0.07   0.05   0.01
    21   1     0.01   0.07  -0.01    -0.03   0.00   0.07    -0.01   0.03  -0.04
    22   1    -0.06   0.11   0.07    -0.10   0.04   0.14     0.05  -0.00  -0.10
    23   1     0.34  -0.14   0.05     0.01   0.05  -0.03     0.29  -0.01   0.05
    24   1     0.14   0.17   0.01     0.05  -0.25   0.07     0.03   0.04   0.14
    25   1    -0.27  -0.01   0.05     0.45  -0.01   0.30     0.04  -0.07  -0.10
    26   1    -0.14   0.05   0.11    -0.40  -0.29  -0.15    -0.20  -0.16  -0.23
    27   1     0.12   0.17   0.27     0.10  -0.27   0.15    -0.36  -0.27  -0.35
                     19                     20                     21
                      A                      A                      A
 Frequencies --    627.5373               730.1388               825.8333
 Red. masses --      3.2376                 1.4761                 2.4707
 Frc consts  --      0.7512                 0.4636                 0.9928
 IR Inten    --      0.2565                 6.0466                 3.2789
 RamAct Fr= 1--      4.6632                 7.1040                24.2802
  Dep-P Fr= 1--      0.1750                 0.1108                 0.4458
  Dep-U Fr= 1--      0.2978                 0.1995                 0.6167
 Alpha2 Fr= 1--      0.0676                 0.1211                 0.1514
 Beta2  Fr= 1--      0.2315                 0.2362                 2.4954
 AlphaG Fr= 1--      0.1253                 0.1425                 0.1829
 Gamma2 Fr= 1--     -0.4102                 0.6286                -2.6833
 Delta2 Fr= 1--      0.7694                 0.7395                 0.0174
 Raman1 Fr= 1--      18.653                 28.416                 97.121
 ROA1   Fr= 1--     -14.754                 84.008               -257.043
 CID1   Fr= 1--      -0.791                  2.956                 -2.647
 Raman2 Fr= 1--       2.778                  2.834                 29.945
 ROA2   Fr= 1--     -15.999                  9.171                -64.540
 CID2   Fr= 1--      -5.760                  3.236                 -2.155
 Raman3 Fr= 1--       5.555                  5.668                 59.890
 ROA3   Fr= 1--     -14.754                 84.008               -257.043
 CID3   Fr= 1--      -2.656                 14.822                 -4.292
 RC180  Fr= 1--      -0.404                 -0.601                  0.233
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.18  -0.15     0.02   0.05  -0.04    -0.03  -0.01  -0.03
     2   6    -0.03   0.11  -0.02     0.01   0.01   0.01    -0.11  -0.02  -0.08
     3   6    -0.00  -0.13  -0.07     0.04  -0.06   0.07     0.13  -0.07   0.16
     4   6     0.04   0.04   0.00    -0.02  -0.01   0.01     0.07  -0.07  -0.01
     5   6    -0.00   0.08   0.06    -0.01   0.01  -0.03     0.07   0.08  -0.12
     6   6    -0.01  -0.09   0.02    -0.00  -0.01   0.01    -0.00   0.00   0.05
     7   8     0.06   0.03  -0.01    -0.01   0.00   0.01    -0.02   0.01   0.06
     8   6    -0.10   0.06   0.10    -0.04   0.02   0.05    -0.02  -0.01  -0.04
     9   6     0.04  -0.07   0.09     0.01  -0.08  -0.08    -0.03   0.03   0.00
    10   6    -0.02  -0.18   0.04     0.06   0.06  -0.05    -0.02   0.11   0.01
    11   6    -0.07  -0.04  -0.05     0.01  -0.00   0.01    -0.06  -0.04  -0.01
    12   1     0.05  -0.12  -0.14     0.01  -0.18   0.40    -0.02  -0.01  -0.16
    13   1     0.23  -0.09   0.17    -0.41  -0.03  -0.25     0.13  -0.04   0.07
    14   1     0.01  -0.21  -0.05     0.04  -0.19   0.10     0.14  -0.10   0.16
    15   1    -0.11  -0.20  -0.06    -0.03  -0.19   0.37     0.01   0.23  -0.23
    16   1     0.07  -0.16   0.12    -0.22   0.43  -0.11     0.08  -0.16  -0.03
    17   1     0.09   0.10  -0.09    -0.00   0.04  -0.06     0.08   0.02   0.06
    18   1     0.14   0.22  -0.22    -0.01   0.00  -0.02     0.12   0.20  -0.12
    19   1     0.11   0.18  -0.18     0.02   0.08  -0.09    -0.01  -0.17   0.19
    20   1    -0.01  -0.06   0.01    -0.03   0.02   0.05     0.07   0.00   0.03
    21   1    -0.19   0.03   0.19    -0.04   0.02   0.05     0.19  -0.08  -0.10
    22   1    -0.17   0.01   0.17    -0.05   0.03   0.07    -0.09   0.10   0.16
    23   1     0.18   0.12  -0.01    -0.10   0.03  -0.00    -0.13   0.21  -0.11
    24   1     0.05   0.03   0.08     0.00  -0.05  -0.01     0.14  -0.44   0.05
    25   1    -0.22  -0.03  -0.15    -0.01   0.01  -0.02    -0.12  -0.01  -0.12
    26   1     0.08   0.08   0.02     0.05   0.03   0.02     0.11   0.06   0.03
    27   1    -0.11   0.06  -0.11    -0.01   0.01  -0.02    -0.15   0.00  -0.14
                     22                     23                     24
                      A                      A                      A
 Frequencies --    860.4846               875.6582               894.8879
 Red. masses --      2.8209                 1.9591                 1.7260
 Frc consts  --      1.2306                 0.8851                 0.8144
 IR Inten    --      0.1594                 3.3053                 8.9442
 RamAct Fr= 1--      4.5705                16.7950                 4.9819
  Dep-P Fr= 1--      0.4856                 0.5892                 0.4507
  Dep-U Fr= 1--      0.6538                 0.7415                 0.6214
 Alpha2 Fr= 1--      0.0241                 0.0503                 0.0305
 Beta2  Fr= 1--      0.4980                 2.0757                 0.5159
 AlphaG Fr= 1--     -0.0417                 0.2473                 0.1984
 Gamma2 Fr= 1--      2.9301                 4.7266                 3.1060
 Delta2 Fr= 1--     -0.6196                -0.4317                 0.6729
 Raman1 Fr= 1--      18.282                 67.180                 19.927
 ROA1   Fr= 1--     261.461                439.940                319.713
 CID1   Fr= 1--      14.302                  6.549                 16.044
 Raman2 Fr= 1--       5.976                 24.908                  6.191
 ROA2   Fr= 1--      75.279                116.892                 69.162
 CID2   Fr= 1--      12.597                  4.693                 11.171
 Raman3 Fr= 1--      11.952                 49.816                 12.382
 ROA3   Fr= 1--     261.461                439.940                319.713
 CID3   Fr= 1--      21.876                  8.831                 25.820
 RC180  Fr= 1--       0.308                  0.483                  0.243
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.03  -0.01    -0.04  -0.00  -0.03     0.02   0.04  -0.01
     2   6     0.10  -0.04   0.04    -0.09  -0.01  -0.04     0.00   0.02   0.05
     3   6     0.02   0.12   0.09     0.03   0.00   0.05     0.04  -0.05   0.02
     4   6     0.08   0.06  -0.06    -0.01   0.10  -0.02    -0.04   0.06   0.02
     5   6     0.14  -0.07  -0.08     0.08  -0.11  -0.04     0.02  -0.07  -0.02
     6   6     0.02   0.02   0.06    -0.00   0.01   0.03    -0.02  -0.01   0.00
     7   8    -0.03   0.02   0.08    -0.02   0.01   0.03    -0.01   0.00  -0.00
     8   6    -0.05   0.03   0.08     0.01  -0.02  -0.06     0.06  -0.02  -0.02
     9   6    -0.05  -0.11  -0.12     0.08   0.08   0.09    -0.10  -0.09   0.03
    10   6    -0.12  -0.07   0.01    -0.00  -0.10  -0.04     0.01   0.12  -0.06
    11   6    -0.09  -0.01  -0.04    -0.04   0.02  -0.01    -0.00   0.02   0.02
    12   1    -0.08   0.05  -0.07     0.08   0.08   0.19    -0.06  -0.35  -0.35
    13   1    -0.10  -0.29  -0.11    -0.07   0.21   0.02     0.30  -0.04   0.18
    14   1     0.09   0.29   0.05     0.00  -0.06   0.07    -0.02  -0.33   0.08
    15   1     0.08   0.13  -0.14    -0.20  -0.28   0.06    -0.14   0.06  -0.15
    16   1    -0.14  -0.39  -0.13    -0.16   0.14  -0.06     0.25   0.20   0.14
    17   1    -0.05   0.07  -0.13     0.07   0.00   0.07    -0.01   0.01  -0.03
    18   1    -0.11  -0.16   0.10     0.12   0.20  -0.11    -0.01  -0.02  -0.00
    19   1     0.01   0.17  -0.18    -0.00  -0.15   0.16     0.02   0.09  -0.08
    20   1    -0.13   0.09   0.11     0.11  -0.03  -0.02    -0.01  -0.04  -0.08
    21   1    -0.09   0.07   0.06     0.18  -0.09  -0.09    -0.11   0.04   0.04
    22   1     0.01   0.02  -0.03    -0.06   0.06   0.13     0.10  -0.11  -0.16
    23   1    -0.01  -0.10  -0.01    -0.07  -0.21   0.08    -0.11  -0.10   0.07
    24   1     0.07   0.28  -0.19     0.01   0.50  -0.23    -0.01   0.34  -0.15
    25   1     0.02  -0.02  -0.00     0.13   0.01   0.06     0.14   0.03   0.05
    26   1    -0.11  -0.07  -0.08    -0.07  -0.08  -0.07     0.03  -0.03  -0.02
    27   1    -0.14  -0.10  -0.11    -0.08  -0.10  -0.07    -0.05  -0.06  -0.05
                     25                     26                     27
                      A                      A                      A
 Frequencies --    928.4926               947.4214               955.8181
 Red. masses --      2.0466                 2.0144                 1.8424
 Frc consts  --      1.0395                 1.0653                 0.9917
 IR Inten    --      5.7556                12.5946                12.4198
 RamAct Fr= 1--      9.3736                15.0146                 9.0822
  Dep-P Fr= 1--      0.7217                 0.3318                 0.6300
  Dep-U Fr= 1--      0.8383                 0.4983                 0.7730
 Alpha2 Fr= 1--      0.0046                 0.1397                 0.0198
 Beta2  Fr= 1--      1.3097                 1.2470                 1.1701
 AlphaG Fr= 1--      0.1359                 0.2476                 0.0112
 Gamma2 Fr= 1--     -1.4072                -2.1079                 0.4521
 Delta2 Fr= 1--     -0.4888                -0.7422                -0.2617
 Raman1 Fr= 1--      37.494                 60.058                 36.329
 ROA1   Fr= 1--    -150.729               -226.114                 35.026
 CID1   Fr= 1--      -4.020                 -3.765                  0.964
 Raman2 Fr= 1--      15.717                 14.964                 14.041
 ROA2   Fr= 1--     -29.862                -44.653                 12.944
 CID2   Fr= 1--      -1.900                 -2.984                  0.922
 Raman3 Fr= 1--      31.433                 29.928                 28.082
 ROA3   Fr= 1--    -150.729               -226.114                 35.026
 CID3   Fr= 1--      -4.795                 -7.555                  1.247
 RC180  Fr= 1--       0.677                 -0.003                  0.546
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.03     0.03  -0.03  -0.03    -0.03   0.10   0.01
     2   6    -0.02  -0.04  -0.03     0.03  -0.07  -0.05    -0.06   0.00   0.07
     3   6     0.06  -0.08   0.10     0.00  -0.07  -0.05    -0.05  -0.03   0.00
     4   6    -0.00   0.05  -0.09    -0.02   0.03   0.05     0.01   0.00  -0.01
     5   6    -0.10  -0.05   0.15     0.04  -0.03  -0.05     0.03  -0.00  -0.02
     6   6     0.02  -0.02  -0.03    -0.06  -0.01  -0.01     0.05   0.02   0.02
     7   8     0.03  -0.01  -0.05    -0.01  -0.01  -0.02    -0.01   0.01   0.04
     8   6    -0.06  -0.01   0.00    -0.07   0.02   0.06     0.06  -0.09  -0.04
     9   6    -0.01   0.02  -0.06    -0.07   0.10  -0.09    -0.08   0.04  -0.07
    10   6    -0.01   0.07   0.06     0.11  -0.03   0.10     0.07  -0.05   0.08
    11   6     0.05   0.01  -0.04    -0.01   0.02   0.08    -0.02  -0.02  -0.06
    12   1    -0.03   0.19  -0.00    -0.12   0.44  -0.21    -0.08   0.05  -0.12
    13   1    -0.05  -0.18  -0.05    -0.01   0.01  -0.06    -0.05   0.21  -0.08
    14   1     0.26  -0.15   0.10    -0.09  -0.07  -0.04    -0.02  -0.04   0.01
    15   1     0.11   0.22  -0.11     0.13  -0.04   0.15     0.21  -0.02   0.25
    16   1     0.04  -0.20  -0.01     0.32   0.08   0.29     0.05  -0.02   0.08
    17   1     0.02   0.07  -0.05     0.04   0.21  -0.15    -0.08  -0.36   0.20
    18   1     0.00   0.03  -0.00    -0.07  -0.04   0.12     0.14   0.07  -0.27
    19   1    -0.01  -0.00   0.02    -0.09  -0.03   0.09     0.21   0.16  -0.29
    20   1    -0.02   0.09   0.14    -0.10   0.08   0.12    -0.15   0.14   0.11
    21   1     0.19  -0.06  -0.12     0.01   0.02  -0.01     0.16   0.00  -0.24
    22   1    -0.08   0.14   0.16    -0.06   0.06   0.08     0.21  -0.01  -0.23
    23   1     0.14  -0.03  -0.05    -0.06   0.00   0.05     0.00  -0.04  -0.00
    24   1    -0.36   0.42   0.01     0.18   0.11  -0.10    -0.00  -0.04  -0.01
    25   1    -0.08  -0.04   0.05     0.24   0.08   0.03    -0.15  -0.05  -0.03
    26   1    -0.19  -0.04  -0.03     0.23   0.02   0.03    -0.16  -0.02  -0.04
    27   1     0.22   0.07   0.21    -0.19  -0.10  -0.18     0.07   0.03   0.07
                     28                     29                     30
                      A                      A                      A
 Frequencies --    960.4879               981.5576               996.4541
 Red. masses --      1.8422                 1.6780                 1.7074
 Frc consts  --      1.0013                 0.9525                 0.9988
 IR Inten    --     32.0957                 2.7159                 3.8398
 RamAct Fr= 1--     28.3777                 2.8369                17.9757
  Dep-P Fr= 1--      0.2300                 0.5423                 0.0880
  Dep-U Fr= 1--      0.3740                 0.7033                 0.1617
 Alpha2 Fr= 1--      0.3555                 0.0113                 0.3241
 Beta2  Fr= 1--      1.7689                 0.3325                 0.4845
 AlphaG Fr= 1--     -0.5012                 0.0602                -0.0641
 Gamma2 Fr= 1--     -5.0098                -1.3435                 0.8444
 Delta2 Fr= 1--     -2.5952                -0.4214                 0.8652
 Raman1 Fr= 1--     113.511                 11.347                 71.903
 ROA1   Fr= 1--    -563.988               -142.464                108.749
 CID1   Fr= 1--      -4.969                -12.555                  1.512
 Raman2 Fr= 1--      21.227                  3.990                  5.814
 ROA2   Fr= 1--     -99.473                -28.873                 13.344
 CID2   Fr= 1--      -4.686                 -7.236                  2.295
 Raman3 Fr= 1--      42.454                  7.980                 11.628
 ROA3   Fr= 1--    -563.988               -142.464                108.749
 CID3   Fr= 1--     -13.285                -17.852                  9.352
 RC180  Fr= 1--      -0.252                  0.407                 -0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.07  -0.04    -0.03   0.00   0.10    -0.02  -0.02  -0.04
     2   6    -0.01  -0.06   0.03    -0.03   0.11   0.00    -0.03   0.02   0.02
     3   6     0.08   0.07   0.02    -0.03  -0.05  -0.00     0.07   0.04   0.09
     4   6    -0.00  -0.01   0.01     0.04   0.01  -0.03     0.03  -0.00  -0.04
     5   6    -0.04   0.02   0.03     0.03  -0.01   0.01    -0.03   0.01   0.05
     6   6    -0.10  -0.03  -0.04    -0.06  -0.02  -0.02    -0.04  -0.01  -0.02
     7   8     0.02  -0.02  -0.07     0.00  -0.01  -0.04     0.01  -0.01  -0.04
     8   6    -0.00  -0.08   0.04     0.02   0.02  -0.09     0.07   0.05  -0.02
     9   6     0.03  -0.02   0.02     0.03  -0.03  -0.04    -0.11   0.00  -0.06
    10   6    -0.05  -0.02  -0.05    -0.02   0.01   0.05     0.02  -0.09   0.03
    11   6     0.02   0.04   0.11    -0.02   0.03   0.08     0.01   0.01   0.03
    12   1     0.02   0.01   0.06     0.02  -0.01   0.12    -0.09  -0.19  -0.21
    13   1    -0.01  -0.04   0.01    -0.10  -0.20  -0.07    -0.01   0.42  -0.08
    14   1     0.14   0.20  -0.02     0.08  -0.12   0.01     0.22   0.19   0.05
    15   1    -0.13  -0.03  -0.15     0.12   0.13   0.01     0.15  -0.09   0.22
    16   1    -0.08  -0.04  -0.07    -0.04  -0.18  -0.04    -0.15  -0.10  -0.09
    17   1     0.02  -0.12   0.09    -0.15  -0.35   0.16     0.09   0.12  -0.00
    18   1     0.14   0.16  -0.22    -0.03  -0.16  -0.03     0.05   0.15  -0.02
    19   1     0.12   0.02  -0.08     0.10   0.14  -0.23    -0.06  -0.14   0.18
    20   1    -0.31   0.26   0.26     0.27  -0.15  -0.15     0.14  -0.21  -0.27
    21   1     0.13   0.05  -0.24     0.09  -0.10   0.02    -0.28   0.05   0.25
    22   1     0.21   0.05  -0.23    -0.14   0.04   0.20     0.00  -0.18  -0.08
    23   1     0.05  -0.01   0.02     0.20   0.04  -0.03     0.07  -0.02  -0.03
    24   1     0.06  -0.08   0.06     0.14   0.11  -0.03    -0.07  -0.01   0.06
    25   1     0.29   0.10   0.04     0.25   0.08   0.02     0.09   0.03   0.02
    26   1     0.31   0.05   0.07     0.25   0.02   0.04     0.09   0.01   0.02
    27   1    -0.15  -0.07  -0.15    -0.20  -0.10  -0.19    -0.02  -0.01  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1025.8488              1037.4578              1048.7243
 Red. masses --      1.3006                 1.6763                 1.5740
 Frc consts  --      0.8064                 1.0630                 1.0199
 IR Inten    --     19.3907                 9.2872                 3.2106
 RamAct Fr= 1--      4.9869                 9.6371                27.1402
  Dep-P Fr= 1--      0.1603                 0.3272                 0.2122
  Dep-U Fr= 1--      0.2763                 0.4930                 0.3501
 Alpha2 Fr= 1--      0.0751                 0.0910                 0.3567
 Beta2  Fr= 1--      0.2296                 0.7919                 1.5838
 AlphaG Fr= 1--     -0.7990                 0.1565                 0.0355
 Gamma2 Fr= 1--     -3.7451                 0.9829                -0.7235
 Delta2 Fr= 1--     -0.1101                 0.2246                 2.8319
 Raman1 Fr= 1--      19.948                 38.548                108.561
 ROA1   Fr= 1--    -363.048                101.545                 21.168
 CID1   Fr= 1--     -18.200                  2.634                  0.195
 Raman2 Fr= 1--       2.756                  9.503                 19.006
 ROA2   Fr= 1--     -89.001                 21.793                -40.018
 CID2   Fr= 1--     -32.297                  2.293                 -2.106
 Raman3 Fr= 1--       5.511                 19.006                 38.011
 ROA3   Fr= 1--    -363.048                101.545                 21.168
 CID3   Fr= 1--     -65.871                  5.343                  0.557
 RC180  Fr= 1--      -0.447                 -0.014                 -0.300
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01  -0.02     0.05   0.02   0.04     0.09   0.01  -0.05
     2   6     0.01   0.00  -0.01    -0.01  -0.00   0.01    -0.03  -0.06   0.05
     3   6    -0.04  -0.03  -0.03     0.06   0.09   0.02    -0.11  -0.02  -0.00
     4   6     0.01  -0.05   0.01    -0.00  -0.06   0.03     0.05  -0.00  -0.06
     5   6     0.02  -0.05   0.00    -0.02  -0.03   0.02     0.03   0.01   0.01
     6   6    -0.01   0.06  -0.02    -0.03   0.10  -0.04    -0.00   0.01  -0.01
     7   8    -0.00  -0.01   0.01     0.01  -0.02   0.00    -0.00  -0.01  -0.01
     8   6     0.03   0.00   0.04    -0.04  -0.01  -0.06    -0.02  -0.05  -0.03
     9   6     0.04   0.00  -0.00    -0.06  -0.00   0.01    -0.01   0.02   0.07
    10   6    -0.02   0.04   0.02     0.03  -0.07  -0.04    -0.00   0.05   0.01
    11   6     0.00  -0.06   0.02     0.03  -0.08   0.02    -0.02  -0.01   0.03
    12   1     0.04  -0.01   0.10    -0.05  -0.00  -0.15     0.04  -0.32   0.03
    13   1    -0.04  -0.01  -0.03     0.06   0.07   0.04     0.06   0.42   0.05
    14   1    -0.07  -0.05  -0.03     0.07   0.08   0.03    -0.03  -0.03  -0.01
    15   1     0.14   0.14   0.04    -0.19  -0.23  -0.03     0.21   0.14   0.14
    16   1    -0.08  -0.09  -0.07     0.11   0.15   0.11    -0.24  -0.07  -0.21
    17   1     0.06  -0.00   0.07    -0.09  -0.03  -0.07     0.02   0.31  -0.26
    18   1     0.10   0.15  -0.10    -0.11  -0.21   0.10    -0.14  -0.13   0.21
    19   1     0.00  -0.14   0.13     0.02   0.19  -0.20    -0.11   0.12  -0.03
    20   1    -0.12   0.02  -0.01     0.15  -0.02   0.03    -0.01   0.07   0.11
    21   1    -0.16   0.09   0.06     0.22  -0.12  -0.10     0.21  -0.08  -0.16
    22   1     0.12  -0.10  -0.19    -0.15   0.13   0.24    -0.01   0.08   0.06
    23   1    -0.03   0.55  -0.17    -0.15   0.27  -0.08     0.24  -0.02  -0.04
    24   1    -0.02   0.47  -0.16    -0.12   0.18  -0.04     0.09  -0.01   0.02
    25   1    -0.15  -0.01  -0.15    -0.27  -0.04  -0.21     0.04   0.02  -0.03
    26   1     0.17   0.12   0.11     0.20   0.18   0.17     0.11   0.02   0.03
    27   1    -0.05   0.10  -0.06     0.02   0.19  -0.01    -0.10  -0.02  -0.09
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1055.1060              1153.6606              1182.6438
 Red. masses --      1.5960                 1.6853                 1.6882
 Frc consts  --      1.0468                 1.3216                 1.3912
 IR Inten    --      2.8316                22.1074                41.9542
 RamAct Fr= 1--      6.2125                55.8493                11.7578
  Dep-P Fr= 1--      0.7453                 0.4214                 0.6474
  Dep-U Fr= 1--      0.8541                 0.5929                 0.7860
 Alpha2 Fr= 1--      0.0005                 0.3826                 0.0217
 Beta2  Fr= 1--      0.8843                 5.5190                 1.5402
 AlphaG Fr= 1--     -0.0648                 0.7689                -0.0664
 Gamma2 Fr= 1--      0.4528                 4.5551                -0.1464
 Delta2 Fr= 1--     -0.2624                -0.3457                 0.8096
 Raman1 Fr= 1--      24.850                223.397                 47.031
 ROA1   Fr= 1--      35.076                426.229                 11.852
 CID1   Fr= 1--       1.411                  1.908                  0.252
 Raman2 Fr= 1--      10.612                 66.228                 18.483
 ROA2   Fr= 1--      12.967                112.088                 -9.991
 CID2   Fr= 1--       1.222                  1.692                 -0.541
 Raman3 Fr= 1--      21.224                132.457                 36.965
 ROA3   Fr= 1--      35.076                426.229                 11.852
 CID3   Fr= 1--       1.653                  3.218                  0.321
 RC180  Fr= 1--       0.708                  0.186                  0.572
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.01     0.04   0.01   0.06    -0.01  -0.01  -0.03
     2   6    -0.01  -0.00   0.01    -0.06  -0.00  -0.10     0.02   0.02   0.07
     3   6     0.01   0.04  -0.00     0.09  -0.12  -0.03     0.02   0.03  -0.05
     4   6     0.02  -0.11   0.03    -0.05   0.03   0.05    -0.05  -0.00   0.04
     5   6    -0.01   0.05  -0.01    -0.00  -0.02  -0.02    -0.00  -0.01  -0.05
     6   6     0.02  -0.14   0.04    -0.04  -0.01   0.01    -0.16  -0.02   0.01
     7   8    -0.00   0.03  -0.01     0.00   0.01   0.02     0.02   0.02   0.05
     8   6    -0.01  -0.01  -0.02     0.01   0.00   0.03    -0.02  -0.01  -0.03
     9   6    -0.02   0.00   0.01     0.00   0.06  -0.01     0.00  -0.02  -0.01
    10   6     0.01  -0.02  -0.01     0.01   0.02   0.06    -0.04  -0.01  -0.00
    11   6    -0.02   0.10  -0.03     0.03   0.00  -0.02     0.08  -0.00  -0.05
    12   1    -0.01  -0.04  -0.04     0.07  -0.41   0.10    -0.00   0.02   0.02
    13   1     0.02   0.09   0.01    -0.03   0.16  -0.03    -0.02   0.07  -0.03
    14   1     0.00   0.01   0.01     0.03   0.60  -0.19     0.39  -0.17  -0.04
    15   1    -0.02  -0.05   0.02    -0.12   0.03  -0.17     0.17   0.11   0.08
    16   1     0.01   0.04   0.01    -0.13  -0.14  -0.11     0.01  -0.06   0.02
    17   1    -0.03   0.01  -0.03    -0.12  -0.07  -0.05     0.06   0.06   0.00
    18   1    -0.03  -0.07   0.03    -0.09  -0.22   0.08     0.02   0.09   0.00
    19   1     0.00   0.06  -0.06     0.00   0.17  -0.16    -0.02  -0.07   0.08
    20   1     0.03   0.01   0.02    -0.10   0.02  -0.01     0.08   0.00   0.03
    21   1     0.08  -0.04  -0.04    -0.10   0.07   0.02     0.11  -0.07  -0.04
    22   1    -0.03   0.04   0.06     0.05  -0.04  -0.08    -0.04   0.06   0.07
    23   1    -0.12   0.65  -0.21    -0.10   0.03   0.05     0.16   0.03   0.04
    24   1    -0.06   0.24  -0.07     0.13   0.09  -0.06     0.62   0.06  -0.08
    25   1     0.29   0.03   0.25    -0.04  -0.02   0.03    -0.10  -0.06   0.07
    26   1    -0.26  -0.21  -0.20    -0.06   0.01  -0.00    -0.12   0.06   0.04
    27   1     0.04  -0.21   0.07     0.10   0.04   0.09     0.30   0.14   0.26
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1203.5624              1215.3531              1233.3758
 Red. masses --      1.8657                 1.8298                 1.5772
 Frc consts  --      1.5923                 1.5924                 1.4136
 IR Inten    --     17.6000                20.5364                 3.7572
 RamAct Fr= 1--      8.0500                 4.3421                44.8894
  Dep-P Fr= 1--      0.2712                 0.5978                 0.4220
  Dep-U Fr= 1--      0.4267                 0.7483                 0.5936
 Alpha2 Fr= 1--      0.0898                 0.0123                 0.3067
 Beta2  Fr= 1--      0.5725                 0.5415                 4.4409
 AlphaG Fr= 1--      0.0988                -0.0348                 0.1661
 Gamma2 Fr= 1--      0.9195                 3.3898                 0.4913
 Delta2 Fr= 1--     -0.8625                 1.1029                 0.9471
 Raman1 Fr= 1--      32.200                 17.368                179.557
 ROA1   Fr= 1--      60.677                360.717                 77.471
 CID1   Fr= 1--       1.884                 20.769                  0.431
 Raman2 Fr= 1--       6.870                  6.498                 53.290
 ROA2   Fr= 1--      28.969                 72.532                  4.215
 CID2   Fr= 1--       4.217                 11.162                  0.079
 Raman3 Fr= 1--      13.740                 12.996                106.580
 ROA3   Fr= 1--      60.677                360.717                 77.471
 CID3   Fr= 1--       4.416                 27.756                  0.727
 RC180  Fr= 1--      -0.147                  0.497                  0.187
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.03  -0.00     0.01   0.03   0.04     0.04  -0.01   0.03
     2   6     0.18  -0.04   0.05    -0.02  -0.07  -0.09    -0.07   0.03  -0.07
     3   6     0.04  -0.09  -0.04    -0.05  -0.02   0.09     0.09   0.02  -0.07
     4   6    -0.02   0.03   0.03     0.06  -0.01  -0.07    -0.06   0.01   0.07
     5   6    -0.01  -0.01  -0.00     0.01  -0.00  -0.01    -0.01  -0.00   0.00
     6   6     0.04   0.00  -0.00    -0.12  -0.02   0.00     0.08   0.01   0.00
     7   8    -0.01  -0.00  -0.00     0.02   0.01   0.01    -0.01  -0.00  -0.01
     8   6    -0.08   0.03  -0.05     0.02   0.03   0.03     0.01  -0.01   0.02
     9   6    -0.05  -0.03   0.05    -0.03  -0.03   0.09    -0.00  -0.04   0.07
    10   6    -0.02   0.04  -0.05     0.06   0.02  -0.08    -0.04  -0.01  -0.05
    11   6    -0.01   0.00   0.01     0.04   0.00  -0.02    -0.02  -0.00   0.01
    12   1    -0.04  -0.02  -0.12    -0.09   0.47  -0.21    -0.05   0.33  -0.12
    13   1     0.11   0.17   0.08     0.15  -0.15   0.18     0.06  -0.00   0.09
    14   1    -0.12   0.47  -0.16    -0.32   0.16   0.06     0.39  -0.24  -0.03
    15   1     0.28   0.12   0.23     0.09  -0.08   0.21     0.46   0.15   0.37
    16   1    -0.10   0.03  -0.11    -0.22   0.16  -0.23    -0.22  -0.05  -0.19
    17   1     0.06  -0.13   0.19    -0.10  -0.13   0.02    -0.08  -0.02  -0.07
    18   1     0.13   0.17  -0.20     0.01  -0.09  -0.06    -0.07  -0.14   0.08
    19   1     0.14  -0.11   0.01     0.07   0.11  -0.13    -0.04   0.09  -0.05
    20   1     0.17   0.00   0.06    -0.05  -0.03  -0.07    -0.08   0.02  -0.00
    21   1     0.14  -0.13   0.02    -0.15   0.06   0.11    -0.05   0.05  -0.03
    22   1    -0.21   0.16   0.29    -0.01  -0.08  -0.02     0.06  -0.02  -0.08
    23   1    -0.12   0.01   0.03     0.22   0.02  -0.08    -0.18  -0.03   0.08
    24   1    -0.10   0.02  -0.01     0.17   0.04  -0.03    -0.10  -0.02   0.01
    25   1     0.01   0.01  -0.01    -0.02  -0.03   0.06     0.00   0.02  -0.04
    26   1     0.01  -0.02  -0.01    -0.03   0.05   0.03     0.01  -0.03  -0.02
    27   1    -0.06  -0.03  -0.05     0.16   0.07   0.15    -0.09  -0.04  -0.09
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1244.3785              1261.9541              1277.2339
 Red. masses --      1.8557                 1.4447                 1.4974
 Frc consts  --      1.6930                 1.3556                 1.4393
 IR Inten    --      2.4328                35.5767                 1.1178
 RamAct Fr= 1--      2.7251                16.8620                11.3015
  Dep-P Fr= 1--      0.3335                 0.3043                 0.3122
  Dep-U Fr= 1--      0.5002                 0.4666                 0.4758
 Alpha2 Fr= 1--      0.0252                 0.1707                 0.1117
 Beta2  Fr= 1--      0.2272                 1.3114                 0.8962
 AlphaG Fr= 1--      0.0651                 0.0037                 0.0850
 Gamma2 Fr= 1--      0.3335                 0.5042                 1.8876
 Delta2 Fr= 1--     -0.1246                -1.1696                 1.0079
 Raman1 Fr= 1--      10.900                 67.448                 45.206
 ROA1   Fr= 1--      28.026                 10.980                213.466
 CID1   Fr= 1--       2.571                  0.163                  4.722
 Raman2 Fr= 1--       2.726                 15.737                 10.754
 ROA2   Fr= 1--       9.000                 21.459                 37.241
 CID2   Fr= 1--       3.301                  1.364                  3.463
 Raman3 Fr= 1--       5.453                 31.474                 21.509
 ROA3   Fr= 1--      28.026                 10.980                213.466
 CID3   Fr= 1--       5.140                  0.349                  9.925
 RC180  Fr= 1--       0.000                 -0.067                 -0.048
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.06   0.00    -0.00  -0.00  -0.02     0.03  -0.01  -0.02
     2   6     0.07   0.18  -0.05    -0.01   0.00   0.05    -0.08   0.03   0.06
     3   6    -0.01  -0.01   0.04    -0.06  -0.02  -0.00    -0.02  -0.07   0.06
     4   6     0.02   0.00  -0.02    -0.07  -0.01   0.02    -0.02  -0.01  -0.02
     5   6     0.01   0.00   0.00    -0.03  -0.01  -0.00    -0.01  -0.00   0.01
     6   6    -0.03  -0.01   0.00     0.09   0.02   0.00     0.04   0.01   0.00
     7   8     0.01   0.00  -0.00    -0.02  -0.00   0.01    -0.01  -0.00  -0.00
     8   6    -0.03  -0.07   0.02     0.00   0.00  -0.01     0.03  -0.01  -0.01
     9   6    -0.07   0.10   0.01    -0.04   0.00  -0.01     0.04   0.00  -0.01
    10   6     0.03  -0.06  -0.04     0.12   0.02   0.02    -0.07  -0.01  -0.11
    11   6     0.01   0.00  -0.00    -0.03  -0.00   0.01    -0.01   0.00   0.01
    12   1    -0.00  -0.44  -0.10    -0.06   0.17  -0.09     0.03   0.11   0.08
    13   1     0.12  -0.54   0.17     0.09  -0.32   0.09    -0.03  -0.16  -0.01
    14   1    -0.08   0.03   0.04     0.47   0.20  -0.09     0.13   0.53  -0.08
    15   1     0.17  -0.10   0.27    -0.31  -0.17  -0.20     0.21   0.05   0.21
    16   1    -0.11   0.04  -0.09    -0.31   0.03  -0.29     0.47   0.22   0.36
    17   1     0.04   0.01   0.03     0.04   0.04  -0.00     0.01   0.09  -0.08
    18   1    -0.05  -0.02   0.11     0.01   0.06   0.01    -0.02   0.03   0.07
    19   1    -0.09  -0.14   0.18    -0.02  -0.03   0.04    -0.08   0.04   0.01
    20   1    -0.13   0.13   0.19     0.05  -0.02  -0.02     0.01  -0.03  -0.05
    21   1     0.11   0.03  -0.21     0.02  -0.02   0.01    -0.01   0.01  -0.01
    22   1     0.12   0.13  -0.07    -0.00  -0.01  -0.01     0.04  -0.04  -0.06
    23   1     0.01  -0.01  -0.02     0.26   0.08   0.01     0.22   0.06  -0.03
    24   1    -0.04   0.00  -0.00     0.25   0.05  -0.01     0.12   0.05  -0.00
    25   1     0.00  -0.01   0.02    -0.01   0.02  -0.05    -0.01   0.01  -0.03
    26   1    -0.00   0.02   0.01    -0.00  -0.05  -0.03    -0.00  -0.03  -0.02
    27   1     0.04   0.02   0.03    -0.10  -0.05  -0.10    -0.05  -0.02  -0.04
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1291.4346              1307.3593              1339.0706
 Red. masses --      2.0109                 1.7713                 1.4373
 Frc consts  --      1.9760                 1.7837                 1.5184
 IR Inten    --     11.9040                24.3228                 0.6940
 RamAct Fr= 1--      7.1748                 2.2837                35.0426
  Dep-P Fr= 1--      0.3941                 0.4921                 0.2902
  Dep-U Fr= 1--      0.5654                 0.6596                 0.4498
 Alpha2 Fr= 1--      0.0543                 0.0117                 0.3701
 Beta2  Fr= 1--      0.6761                 0.2511                 2.6270
 AlphaG Fr= 1--      0.0648                 0.0038                -0.0301
 Gamma2 Fr= 1--     -2.8280                -0.1575                -0.3837
 Delta2 Fr= 1--     -3.3794                -0.2453                 0.3069
 Raman1 Fr= 1--      28.699                  9.135                140.170
 ROA1   Fr= 1--    -379.632                -22.971                -27.011
 CID1   Fr= 1--     -13.228                 -2.515                 -0.193
 Raman2 Fr= 1--       8.113                  3.013                 31.524
 ROA2   Fr= 1--     -40.837                 -1.818                -11.663
 CID2   Fr= 1--      -5.034                 -0.603                 -0.370
 Raman3 Fr= 1--      16.226                  6.026                 63.048
 ROA3   Fr= 1--    -379.632                -22.971                -27.011
 CID3   Fr= 1--     -23.397                 -3.812                 -0.428
 RC180  Fr= 1--       0.131                  0.319                 -0.100
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.07  -0.02     0.02   0.01  -0.04     0.01   0.00  -0.01
     2   6    -0.03   0.20   0.05    -0.10  -0.06   0.16    -0.02  -0.00   0.03
     3   6     0.01  -0.06  -0.01     0.04  -0.02  -0.08     0.04   0.01  -0.01
     4   6     0.03   0.01  -0.01     0.05   0.00   0.02     0.01   0.04   0.12
     5   6     0.02   0.00   0.01     0.05   0.01   0.01    -0.02  -0.04  -0.13
     6   6    -0.04  -0.01   0.00    -0.07  -0.01  -0.00    -0.03  -0.00   0.00
     7   8     0.01   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00   0.00
     8   6     0.00  -0.07  -0.01     0.02   0.03  -0.04     0.00   0.00  -0.01
     9   6     0.01  -0.16  -0.00     0.01   0.06  -0.03    -0.00   0.00  -0.01
    10   6     0.04   0.03   0.03     0.01   0.01   0.01    -0.00  -0.00   0.01
    11   6     0.01   0.00  -0.01     0.01  -0.00  -0.01     0.02   0.00  -0.00
    12   1    -0.09   0.53  -0.12     0.01   0.05   0.06    -0.01   0.02   0.03
    13   1    -0.09   0.35  -0.12     0.05  -0.56   0.08     0.02  -0.05   0.01
    14   1    -0.24   0.27  -0.06    -0.18   0.10  -0.09    -0.12  -0.00   0.01
    15   1    -0.20  -0.06  -0.12     0.09   0.03   0.07     0.02   0.02  -0.00
    16   1    -0.08  -0.08  -0.10    -0.19  -0.05  -0.17    -0.05  -0.02  -0.03
    17   1     0.07   0.13  -0.05     0.04   0.16  -0.10     0.01   0.01  -0.01
    18   1    -0.04   0.07   0.16     0.04   0.11   0.01    -0.01   0.02   0.04
    19   1    -0.14  -0.04   0.10    -0.05   0.06  -0.04    -0.04   0.01   0.01
    20   1    -0.05   0.08   0.11     0.14  -0.11  -0.13     0.02  -0.01  -0.01
    21   1     0.08   0.02  -0.17     0.07  -0.07   0.05     0.02  -0.01   0.00
    22   1     0.10   0.12  -0.04    -0.03  -0.10  -0.03    -0.01  -0.01  -0.00
    23   1    -0.21  -0.01  -0.01    -0.52  -0.06   0.01     0.70   0.16   0.12
    24   1    -0.14   0.01   0.00    -0.22  -0.03   0.02    -0.60  -0.14  -0.11
    25   1     0.02  -0.01   0.03     0.03  -0.02   0.05    -0.02  -0.02   0.03
    26   1     0.01   0.03   0.02     0.02   0.05   0.03    -0.02   0.03   0.02
    27   1     0.05   0.02   0.05     0.07   0.04   0.07     0.03   0.01   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1377.9735              1392.4718              1405.9125
 Red. masses --      1.3209                 1.5796                 1.2727
 Frc consts  --      1.4777                 1.8046                 1.4822
 IR Inten    --      3.9951                96.3392                 7.9052
 RamAct Fr= 1--      1.8101                 4.0968                 0.5968
  Dep-P Fr= 1--      0.6782                 0.2144                 0.4715
  Dep-U Fr= 1--      0.8082                 0.3530                 0.6409
 Alpha2 Fr= 1--      0.0023                 0.0535                 0.0033
 Beta2  Fr= 1--      0.2438                 0.2411                 0.0637
 AlphaG Fr= 1--      0.0086                 0.0359                -0.0088
 Gamma2 Fr= 1--      0.1251                 0.6354                -0.3813
 Delta2 Fr= 1--      0.1694                 0.0062                -0.0646
 Raman1 Fr= 1--       7.241                 16.387                  2.387
 ROA1   Fr= 1--      17.434                 61.200                -38.672
 CID1   Fr= 1--       2.408                  3.735                -16.198
 Raman2 Fr= 1--       2.926                  2.893                  0.765
 ROA2   Fr= 1--       1.648                 15.201                 -8.635
 CID2   Fr= 1--       0.563                  5.255                -11.287
 Raman3 Fr= 1--       5.852                  5.785                  1.530
 ROA3   Fr= 1--      17.434                 61.200                -38.672
 CID3   Fr= 1--       2.979                 10.578                -25.276
 RC180  Fr= 1--       0.616                 -0.294                  0.282
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00    -0.00   0.01  -0.00     0.03   0.06  -0.06
     2   6     0.02  -0.01  -0.03     0.02  -0.01  -0.03    -0.02  -0.01   0.03
     3   6    -0.09  -0.02   0.01    -0.11  -0.02   0.01     0.02   0.00  -0.01
     4   6     0.02   0.01   0.02     0.05   0.01   0.02    -0.00  -0.00  -0.00
     5   6     0.06   0.01  -0.01     0.08   0.01  -0.01    -0.01   0.00   0.00
     6   6    -0.02  -0.00   0.01    -0.10  -0.02   0.00     0.00   0.00  -0.00
     7   8     0.00  -0.00  -0.01     0.01   0.00  -0.01    -0.00   0.00   0.00
     8   6     0.00   0.00   0.01     0.00  -0.00   0.00     0.08  -0.04  -0.08
     9   6     0.00  -0.00   0.01     0.00  -0.00   0.01     0.00   0.00  -0.01
    10   6     0.01   0.00  -0.01     0.01   0.00  -0.01    -0.00  -0.00   0.00
    11   6    -0.08  -0.03  -0.06     0.11   0.04   0.06    -0.00  -0.00  -0.00
    12   1     0.00  -0.01   0.01     0.00  -0.00   0.02     0.00   0.02   0.02
    13   1     0.02   0.05   0.01     0.02   0.05   0.01     0.01  -0.05   0.00
    14   1     0.48   0.07  -0.05     0.50   0.08  -0.05    -0.08   0.01  -0.01
    15   1    -0.04  -0.01  -0.04    -0.04  -0.01  -0.04     0.03   0.03  -0.02
    16   1     0.06   0.08   0.05     0.06   0.08   0.05    -0.03   0.02  -0.01
    17   1    -0.01  -0.06   0.03    -0.01  -0.07   0.04    -0.00  -0.31   0.12
    18   1    -0.03  -0.05  -0.01    -0.04  -0.06  -0.00    -0.23  -0.22   0.16
    19   1     0.03  -0.04   0.03     0.03  -0.05   0.05    -0.03  -0.16   0.32
    20   1    -0.02   0.02   0.02    -0.02   0.02   0.02    -0.25   0.31   0.17
    21   1    -0.03   0.01   0.02    -0.03   0.01   0.02    -0.40   0.04   0.21
    22   1     0.00   0.00   0.00     0.00   0.00   0.01    -0.16   0.11   0.41
    23   1    -0.12  -0.01   0.02    -0.22  -0.02   0.02    -0.02   0.01  -0.01
    24   1    -0.31  -0.05   0.01    -0.35  -0.06   0.01     0.04   0.01   0.00
    25   1     0.37  -0.07   0.28    -0.38   0.04  -0.20     0.01   0.00   0.00
    26   1     0.30   0.33   0.15    -0.33  -0.26  -0.10     0.01   0.00   0.00
    27   1     0.19   0.13   0.31    -0.13  -0.11  -0.27     0.00   0.00   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1423.3862              1464.8760              1474.3419
 Red. masses --      1.2281                 1.0593                 1.0480
 Frc consts  --      1.4660                 1.3392                 1.3421
 IR Inten    --      3.4443                15.0515                 9.1524
 RamAct Fr= 1--      0.8408                 8.0663                 5.1038
  Dep-P Fr= 1--      0.6779                 0.3827                 0.7494
  Dep-U Fr= 1--      0.8080                 0.5535                 0.8567
 Alpha2 Fr= 1--      0.0011                 0.0635                 0.0001
 Beta2  Fr= 1--      0.1132                 0.7442                 0.7288
 AlphaG Fr= 1--      0.0001                 0.0162                 0.0020
 Gamma2 Fr= 1--     -0.0433                 0.2696                -0.0439
 Delta2 Fr= 1--     -0.0879                 0.0577                 0.0807
 Raman1 Fr= 1--       3.363                 32.265                 20.415
 ROA1   Fr= 1--      -6.975                 27.728                 -1.627
 CID1   Fr= 1--      -2.074                  0.859                 -0.080
 Raman2 Fr= 1--       1.359                  8.930                  8.745
 ROA2   Fr= 1--      -0.337                  6.009                 -1.698
 CID2   Fr= 1--      -0.248                  0.673                 -0.194
 Raman3 Fr= 1--       2.717                 17.860                 17.491
 ROA3   Fr= 1--      -6.975                 27.728                 -1.627
 CID3   Fr= 1--      -2.567                  1.553                 -0.093
 RC180  Fr= 1--       0.616                  0.107                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.08  -0.07    -0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.01   0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     3   6     0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01    -0.00  -0.00   0.00
     5   6    -0.01  -0.00   0.00    -0.00   0.00   0.01    -0.00   0.01  -0.00
     6   6     0.00   0.00  -0.00     0.01   0.01   0.02     0.00  -0.02   0.01
     7   8    -0.00   0.00   0.00    -0.00  -0.01  -0.02    -0.00   0.00  -0.00
     8   6    -0.06   0.04   0.05     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01  -0.01   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.05  -0.00  -0.03     0.01  -0.05   0.02
    12   1    -0.00   0.03  -0.06     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   1    -0.06   0.02  -0.03    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1    -0.07   0.02  -0.00    -0.02  -0.00   0.00    -0.00   0.00  -0.00
    15   1    -0.01  -0.01   0.02     0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1     0.01  -0.03  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   1    -0.01  -0.37   0.15     0.01   0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.29  -0.32   0.15    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    19   1     0.01  -0.23   0.40     0.01  -0.00  -0.00     0.00  -0.00   0.00
    20   1     0.20  -0.24  -0.15    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   1     0.34  -0.06  -0.13     0.00   0.00  -0.00    -0.00   0.00  -0.00
    22   1     0.10  -0.13  -0.32    -0.00  -0.00   0.00     0.00   0.00   0.00
    23   1    -0.00   0.01  -0.01    -0.00  -0.00  -0.01    -0.00   0.01  -0.00
    24   1     0.03   0.01  -0.00     0.05   0.01   0.01     0.00  -0.01   0.00
    25   1     0.00   0.00  -0.00    -0.16  -0.23   0.56     0.45   0.09  -0.15
    26   1     0.01  -0.00  -0.00    -0.27   0.44   0.35    -0.47   0.02   0.12
    27   1     0.00   0.00   0.00    -0.21  -0.15  -0.37    -0.12   0.68  -0.21
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.1675              1485.6669              1492.5499
 Red. masses --      1.0673                 1.0452                 1.0650
 Frc consts  --      1.3833                 1.3593                 1.3979
 IR Inten    --      1.5335                 0.6249                 6.0465
 RamAct Fr= 1--      5.3779                 7.7327                 5.7478
  Dep-P Fr= 1--      0.7030                 0.7359                 0.7437
  Dep-U Fr= 1--      0.8256                 0.8478                 0.8530
 Alpha2 Fr= 1--      0.0044                 0.0019                 0.0006
 Beta2  Fr= 1--      0.7400                 1.0927                 0.8171
 AlphaG Fr= 1--     -0.0231                 0.0029                 0.0047
 Gamma2 Fr= 1--     -1.4418                 0.1013                 1.7830
 Delta2 Fr= 1--     -0.4755                 0.2798                 0.8028
 Raman1 Fr= 1--      21.512                 30.931                 22.991
 ROA1   Fr= 1--    -153.626                 18.673                196.856
 CID1   Fr= 1--      -7.142                  0.604                  8.562
 Raman2 Fr= 1--       8.880                 13.112                  9.806
 ROA2   Fr= 1--     -30.798                  0.192                 36.369
 CID2   Fr= 1--      -3.468                  0.015                  3.709
 Raman3 Fr= 1--      17.760                 26.225                 19.612
 ROA3   Fr= 1--    -153.626                 18.673                196.856
 CID3   Fr= 1--      -8.650                  0.712                 10.038
 RC180  Fr= 1--       0.651                  0.696                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.01    -0.04  -0.00  -0.02    -0.02   0.02   0.02
     2   6    -0.01  -0.00   0.01    -0.00   0.00   0.00    -0.01   0.01   0.02
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.01  -0.02   0.01     0.03   0.00   0.03    -0.00  -0.02   0.00
     9   6    -0.02  -0.00  -0.04     0.00   0.00   0.00     0.02   0.00   0.02
    10   6    -0.00   0.04  -0.02    -0.00   0.00  -0.00     0.00  -0.04   0.02
    11   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    12   1    -0.03   0.07   0.37    -0.00   0.00  -0.01     0.01  -0.02  -0.23
    13   1     0.36   0.05   0.12    -0.01  -0.01   0.00    -0.23  -0.06  -0.07
    14   1    -0.01  -0.00  -0.00     0.01   0.00  -0.00    -0.03   0.02  -0.00
    15   1    -0.15  -0.20   0.26    -0.01  -0.01   0.02     0.17   0.22  -0.28
    16   1     0.14  -0.33  -0.04     0.00  -0.03  -0.01    -0.16   0.36   0.05
    17   1    -0.03   0.17  -0.09     0.37   0.18   0.27    -0.05   0.25  -0.15
    18   1    -0.01  -0.25  -0.19    -0.18  -0.06   0.21     0.01  -0.32  -0.28
    19   1     0.23  -0.16   0.06     0.33  -0.07  -0.22     0.29  -0.21   0.08
    20   1     0.18  -0.10  -0.01    -0.36  -0.14  -0.33     0.14  -0.10  -0.03
    21   1    -0.19   0.16  -0.10     0.10   0.19  -0.31    -0.15   0.14  -0.11
    22   1     0.14   0.30   0.01    -0.17  -0.12   0.24     0.11   0.25   0.02
    23   1     0.00   0.00   0.00    -0.00   0.01  -0.00     0.02  -0.00   0.00
    24   1     0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    26   1     0.00   0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    27   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1501.8407              1505.4414              1509.2461
 Red. masses --      1.0917                 1.0660                 1.0658
 Frc consts  --      1.4508                 1.4234                 1.4304
 IR Inten    --      3.8785                 8.9955                 5.7837
 RamAct Fr= 1--      8.8498                 5.8038                 0.2859
  Dep-P Fr= 1--      0.5935                 0.6945                 0.4430
  Dep-U Fr= 1--      0.7449                 0.8197                 0.6140
 Alpha2 Fr= 1--      0.0258                 0.0056                 0.0018
 Beta2  Fr= 1--      1.0987                 0.7929                 0.0293
 AlphaG Fr= 1--      0.0037                -0.0225                -0.0021
 Gamma2 Fr= 1--     -0.5204                -0.6725                -0.2661
 Delta2 Fr= 1--      0.2963                 1.2255                 0.0538
 Raman1 Fr= 1--      35.399                 23.215                  1.144
 ROA1   Fr= 1--     -40.475                -25.341                -23.819
 CID1   Fr= 1--      -1.143                 -1.092                -20.830
 Raman2 Fr= 1--      13.184                  9.515                  0.351
 ROA2   Fr= 1--     -14.860                -25.944                 -6.816
 CID2   Fr= 1--      -1.127                 -2.727                -19.415
 Raman3 Fr= 1--      26.368                 19.029                  0.702
 ROA3   Fr= 1--     -40.475                -25.341                -23.819
 CID3   Fr= 1--      -1.535                 -1.332                -33.925
 RC180  Fr= 1--       0.490                  0.639                  0.228
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.00     0.01  -0.01  -0.03    -0.02  -0.01  -0.02
     2   6    -0.02   0.03  -0.02    -0.00  -0.03  -0.01    -0.03  -0.02  -0.02
     3   6     0.01  -0.00   0.01     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.01   0.02  -0.02    -0.02  -0.02   0.02    -0.02  -0.01  -0.02
     9   6    -0.03  -0.02  -0.04    -0.02  -0.00  -0.02     0.02   0.01   0.03
    10   6     0.00  -0.04   0.01    -0.00  -0.03   0.01    -0.00   0.02  -0.01
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    12   1    -0.04   0.09   0.37    -0.02   0.03   0.24     0.03  -0.04  -0.24
    13   1     0.37   0.08   0.12     0.23   0.05   0.08    -0.24  -0.06  -0.07
    14   1    -0.04   0.01   0.01    -0.02  -0.01   0.01     0.01  -0.01   0.00
    15   1     0.13   0.15  -0.20     0.13   0.16  -0.21    -0.06  -0.08   0.12
    16   1    -0.11   0.26   0.03    -0.12   0.27   0.03     0.07  -0.15  -0.02
    17   1     0.15   0.17   0.07     0.12  -0.21   0.20     0.34   0.12   0.26
    18   1    -0.09  -0.15   0.02    -0.06   0.26   0.30    -0.17   0.01   0.25
    19   1     0.24  -0.11  -0.07    -0.19   0.17  -0.10     0.24  -0.00  -0.24
    20   1    -0.01   0.19   0.20     0.24  -0.18  -0.05     0.33   0.11   0.29
    21   1     0.17  -0.28   0.26    -0.20   0.21  -0.15    -0.16  -0.13   0.27
    22   1    -0.04  -0.28  -0.17     0.17   0.37  -0.01     0.17   0.16  -0.20
    23   1    -0.00  -0.00  -0.01    -0.02  -0.00  -0.01     0.01   0.01  -0.00
    24   1     0.01   0.00   0.00     0.01   0.00   0.00    -0.01  -0.00  -0.00
    25   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    27   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1674.1597              1761.9057              3020.5435
 Red. masses --      6.6567                 8.4459                 1.0348
 Frc consts  --     10.9927                15.4476                 5.5627
 IR Inten    --    253.6549               111.4582                23.6476
 RamAct Fr= 1--    715.6769                24.0327                40.4182
  Dep-P Fr= 1--      0.2706                 0.7475                 0.0717
  Dep-U Fr= 1--      0.4259                 0.8555                 0.1338
 Alpha2 Fr= 1--      8.0011                 0.0010                 0.7579
 Beta2  Fr= 1--     50.8039                 3.4268                 0.9015
 AlphaG Fr= 1--     -1.8562                 0.0137                 0.0868
 Gamma2 Fr= 1--    -22.3356                 0.9284                -2.1139
 Delta2 Fr= 1--      3.3226                -0.0684                -1.5548
 Raman1 Fr= 1--    2862.707                 96.131                161.673
 ROA1   Fr= 1--   -2037.892                 86.937               -252.687
 CID1   Fr= 1--      -0.712                  0.904                 -1.563
 Raman2 Fr= 1--     609.647                 41.121                 10.818
 ROA2   Fr= 1--    -562.634                 22.829                -38.295
 CID2   Fr= 1--      -0.923                  0.555                 -3.540
 Raman3 Fr= 1--    1219.293                 82.243                 21.636
 ROA3   Fr= 1--   -2037.892                 86.937               -252.687
 CID3   Fr= 1--      -1.671                  1.057                -11.679
 RC180  Fr= 1--      -0.148                  0.711                 -0.732
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.02   0.01
     2   6    -0.02   0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.08  -0.02   0.01    -0.04  -0.01  -0.00    -0.00  -0.00  -0.00
     4   6     0.43   0.11   0.12     0.22   0.06   0.08    -0.00   0.00  -0.00
     5   6    -0.40  -0.10  -0.10    -0.22  -0.07  -0.11    -0.00   0.00   0.00
     6   6     0.08  -0.06  -0.25    -0.01   0.18   0.57     0.00  -0.00  -0.00
     7   8    -0.02   0.05   0.16     0.02  -0.11  -0.36    -0.00   0.00   0.00
     8   6     0.01  -0.00   0.00     0.00  -0.00  -0.00    -0.03   0.02   0.03
     9   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.01  -0.01  -0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.00   0.01    -0.00  -0.01  -0.04    -0.00   0.00   0.00
    12   1     0.00   0.01   0.02     0.00   0.00   0.00    -0.02  -0.00   0.00
    13   1     0.01   0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.01
    14   1     0.21   0.05  -0.01     0.10   0.01  -0.02     0.00   0.01   0.03
    15   1     0.02   0.01  -0.01     0.01   0.00   0.00     0.00  -0.01  -0.00
    16   1     0.03   0.06   0.04     0.00   0.01   0.00    -0.01  -0.00   0.01
    17   1     0.01   0.00   0.01     0.00   0.00   0.00     0.12  -0.07  -0.12
    18   1    -0.02  -0.02   0.02    -0.00  -0.01   0.00    -0.23   0.11  -0.14
    19   1     0.01   0.00  -0.01     0.01  -0.00  -0.00     0.13   0.20   0.14
    20   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.14   0.33  -0.28
    21   1    -0.01   0.00   0.01    -0.00   0.00  -0.00    -0.23  -0.40  -0.28
    22   1     0.02  -0.01  -0.02     0.00  -0.00   0.00     0.43  -0.20   0.27
    23   1    -0.49  -0.04   0.14    -0.25  -0.01   0.11    -0.00   0.00   0.00
    24   1     0.33  -0.00  -0.17     0.39   0.01  -0.16     0.00   0.00   0.00
    25   1     0.05  -0.02   0.09    -0.07   0.03  -0.16     0.00  -0.00  -0.00
    26   1     0.03   0.08   0.06    -0.04  -0.13  -0.10    -0.00  -0.00   0.00
    27   1    -0.07  -0.04  -0.10     0.13   0.08   0.18     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3026.2509              3029.6333              3052.0825
 Red. masses --      1.0367                 1.0378                 1.0596
 Frc consts  --      5.5939                 5.6124                 5.8155
 IR Inten    --     29.6108                 2.9150                50.3229
 RamAct Fr= 1--    253.1108               208.5133               111.2098
  Dep-P Fr= 1--      0.0267                 0.0170                 0.1191
  Dep-U Fr= 1--      0.0520                 0.0335                 0.2129
 Alpha2 Fr= 1--      5.2834                 4.4527                 1.8576
 Beta2  Fr= 1--      2.1943                 1.1633                 3.9455
 AlphaG Fr= 1--     -1.4663                 0.3458                -0.0441
 Gamma2 Fr= 1--      2.9624                 0.4349                -1.4760
 Delta2 Fr= 1--     -1.1471                -1.5400                -3.2771
 Raman1 Fr= 1--    1012.443                834.053                444.839
 ROA1   Fr= 1--     247.686                 -7.530               -246.565
 CID1   Fr= 1--       0.245                 -0.009                 -0.554
 Raman2 Fr= 1--      26.331                 13.960                 47.346
 ROA2   Fr= 1--      80.276                 22.758                 -9.208
 CID2   Fr= 1--       3.049                  1.630                 -0.194
 Raman3 Fr= 1--      52.663                 27.919                 94.692
 ROA3   Fr= 1--     247.686                 -7.530               -246.565
 CID3   Fr= 1--       4.703                 -0.270                 -2.604
 RC180  Fr= 1--      -0.896                 -0.933                 -0.574
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04  -0.02     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.02
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.01   0.01   0.01     0.00  -0.00   0.00     0.00   0.00   0.00
     9   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.04  -0.01  -0.05
    10   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01   0.00
    11   6    -0.00  -0.00   0.00    -0.02  -0.02  -0.04    -0.00  -0.00   0.00
    12   1    -0.07  -0.01   0.00    -0.00  -0.00   0.00     0.67   0.09  -0.01
    13   1     0.03  -0.01  -0.06     0.00  -0.00  -0.00    -0.26   0.08   0.62
    14   1     0.00   0.01   0.06     0.00  -0.00  -0.00     0.01   0.06   0.26
    15   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.05  -0.08  -0.04
    16   1    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.01  -0.00   0.01
    17   1    -0.24   0.14   0.25    -0.00   0.00   0.00    -0.01   0.00   0.01
    18   1     0.46  -0.22   0.28     0.00  -0.00   0.00     0.03  -0.02   0.02
    19   1    -0.25  -0.41  -0.28    -0.00  -0.00  -0.00    -0.02  -0.03  -0.02
    20   1     0.07   0.17  -0.15     0.00   0.00  -0.00     0.01   0.02  -0.02
    21   1    -0.11  -0.19  -0.14    -0.00  -0.00  -0.00    -0.02  -0.03  -0.02
    22   1     0.21  -0.09   0.13     0.00  -0.00  -0.00     0.00  -0.00   0.00
    23   1     0.00  -0.00  -0.01     0.00   0.00   0.00     0.00  -0.01  -0.03
    24   1     0.00   0.00  -0.00    -0.00  -0.01  -0.02     0.00  -0.00  -0.01
    25   1    -0.00   0.00   0.00    -0.10   0.62   0.21    -0.00   0.00   0.00
    26   1    -0.00   0.00  -0.00     0.08  -0.39   0.52    -0.00   0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.30  -0.02  -0.22     0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3055.7039              3069.7934              3077.9218
 Red. masses --      1.0813                 1.0623                 1.1017
 Frc consts  --      5.9484                 5.8980                 6.1493
 IR Inten    --     14.0343                27.1131                 1.9370
 RamAct Fr= 1--     74.4329               218.4523                10.9362
  Dep-P Fr= 1--      0.2408                 0.0256                 0.6508
  Dep-U Fr= 1--      0.3882                 0.0499                 0.7884
 Alpha2 Fr= 1--      0.9050                 4.5720                 0.0195
 Beta2  Fr= 1--      4.8155                 1.8163                 1.4371
 AlphaG Fr= 1--     -0.4757                 1.1151                 0.0492
 Gamma2 Fr= 1--      7.7851                -4.8032                 3.1608
 Delta2 Fr= 1--     -2.7664                -6.8052                 0.9104
 Raman1 Fr= 1--     297.732                873.809                 43.745
 ROA1   Fr= 1--     658.845               -678.878                332.565
 CID1   Fr= 1--       2.213                 -0.777                  7.602
 Raman2 Fr= 1--      57.786                 21.796                 17.245
 ROA2   Fr= 1--     208.973                -60.836                 68.575
 CID2   Fr= 1--       3.616                 -2.791                  3.977
 Raman3 Fr= 1--     115.572                 43.592                 34.490
 ROA3   Fr= 1--     658.845               -678.878                332.565
 CID3   Fr= 1--       5.701                -15.573                  9.642
 RC180  Fr= 1--      -0.224                 -0.900                  0.577
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.06  -0.02  -0.04
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.02  -0.07     0.00   0.01   0.02     0.00   0.00   0.00
     4   6    -0.00   0.00   0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   6     0.01  -0.00   0.00    -0.00   0.01  -0.01     0.04   0.01   0.04
     9   6     0.01   0.00   0.01     0.00  -0.00  -0.01    -0.00   0.00   0.00
    10   6    -0.00  -0.02   0.01     0.00  -0.06   0.02     0.00  -0.00  -0.00
    11   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.18  -0.03   0.00     0.05   0.00  -0.00     0.04   0.01   0.00
    13   1     0.06  -0.02  -0.13    -0.06   0.02   0.16     0.01  -0.00  -0.03
    14   1     0.06   0.20   0.88    -0.02  -0.06  -0.26    -0.00  -0.01  -0.05
    15   1    -0.10   0.14   0.07    -0.37   0.51   0.24    -0.03   0.04   0.02
    16   1     0.15   0.07  -0.20     0.37   0.18  -0.50     0.01   0.00  -0.01
    17   1     0.02  -0.01  -0.02    -0.01   0.01   0.01     0.01  -0.02  -0.04
    18   1    -0.02   0.01  -0.01     0.00  -0.00   0.00     0.44  -0.22   0.26
    19   1     0.02   0.03   0.02    -0.01  -0.02  -0.02     0.24   0.42   0.28
    20   1    -0.01  -0.01   0.01    -0.02  -0.05   0.04     0.02   0.01  -0.00
    21   1     0.00   0.00   0.00    -0.01  -0.02  -0.02    -0.17  -0.32  -0.22
    22   1    -0.06   0.03  -0.04     0.08  -0.04   0.05    -0.34   0.16  -0.20
    23   1     0.00  -0.02  -0.07    -0.00   0.00   0.00    -0.00   0.00   0.01
    24   1     0.00  -0.01  -0.02    -0.00   0.00   0.01    -0.00   0.00   0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    27   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3081.4371              3083.7010              3088.4286
 Red. masses --      1.0984                 1.1010                 1.1009
 Frc consts  --      6.1451                 6.1683                 6.1871
 IR Inten    --      8.9948                52.1863                32.8646
 RamAct Fr= 1--     56.6780               136.2355                55.3400
  Dep-P Fr= 1--      0.7486                 0.7301                 0.7291
  Dep-U Fr= 1--      0.8562                 0.8440                 0.8433
 Alpha2 Fr= 1--      0.0013                 0.0465                 0.0198
 Beta2  Fr= 1--      8.0882                19.1631                 7.7782
 AlphaG Fr= 1--     -0.0193                 0.1361                -0.0580
 Gamma2 Fr= 1--     -1.1986                -2.8337                 4.5352
 Delta2 Fr= 1--      0.9057                10.2550                -3.4726
 Raman1 Fr= 1--     226.712                544.942                221.360
 ROA1   Fr= 1--     -86.081                 56.125                324.260
 CID1   Fr= 1--      -0.380                  0.103                  1.465
 Raman2 Fr= 1--      97.059                229.957                 93.338
 ROA2   Fr= 1--     -36.011               -150.049                136.627
 CID2   Fr= 1--      -0.371                 -0.653                  1.464
 Raman3 Fr= 1--     194.117                459.914                186.676
 ROA3   Fr= 1--     -86.081                 56.125                324.260
 CID3   Fr= 1--      -0.443                  0.122                  1.737
 RC180  Fr= 1--       0.712                  0.688                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.04  -0.01  -0.03    -0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6     0.00   0.00   0.00    -0.05  -0.02  -0.05    -0.01  -0.08   0.04
     9   6    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.01   0.00  -0.01
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.01  -0.00
    11   6     0.02  -0.09   0.03     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1     0.00   0.00  -0.00    -0.04  -0.00   0.00    -0.06  -0.01  -0.00
    13   1     0.00  -0.00  -0.00    -0.02   0.01   0.05    -0.03   0.01   0.07
    14   1    -0.00  -0.00  -0.00     0.00   0.01   0.04    -0.00  -0.01  -0.04
    15   1    -0.00   0.00   0.00     0.02  -0.03  -0.01    -0.06   0.08   0.04
    16   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.00  -0.02
    17   1    -0.00   0.00   0.00     0.02  -0.02  -0.03     0.04  -0.02  -0.04
    18   1    -0.00   0.00  -0.00     0.34  -0.17   0.21     0.00  -0.00   0.00
    19   1     0.00   0.00   0.00     0.19   0.32   0.21    -0.01  -0.01  -0.01
    20   1    -0.00  -0.00   0.00    -0.02  -0.02   0.00     0.26   0.60  -0.54
    21   1    -0.01  -0.01  -0.01     0.22   0.41   0.29     0.16   0.26   0.21
    22   1    -0.01   0.00  -0.00     0.44  -0.21   0.26    -0.28   0.11  -0.16
    23   1     0.00  -0.00   0.00    -0.00  -0.00  -0.01    -0.00   0.00   0.01
    24   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    25   1    -0.10   0.65   0.25    -0.00   0.01   0.00    -0.00   0.00   0.00
    26   1    -0.08   0.40  -0.58    -0.00   0.01  -0.01    -0.00   0.00  -0.00
    27   1     0.00  -0.02   0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3092.9883              3102.3552              3117.8925
 Red. masses --      1.1084                 1.0997                 1.1078
 Frc consts  --      6.2473                 6.2359                 6.3448
 IR Inten    --     16.8636                24.8932                39.5229
 RamAct Fr= 1--     63.0984                47.7803                88.4821
  Dep-P Fr= 1--      0.6506                 0.7446                 0.6386
  Dep-U Fr= 1--      0.7883                 0.8536                 0.7795
 Alpha2 Fr= 1--      0.1126                 0.0044                 0.1782
 Beta2  Fr= 1--      8.2905                 6.7978                11.4949
 AlphaG Fr= 1--     -0.0807                -0.0076                 0.1256
 Gamma2 Fr= 1--    -23.4412                 6.2432                24.1802
 Delta2 Fr= 1--    -12.8620                -2.7490                17.1883
 Raman1 Fr= 1--     252.394                191.121                353.928
 ROA1   Fr= 1--   -2661.940                511.382               2871.331
 CID1   Fr= 1--     -10.547                  2.676                  8.113
 Raman2 Fr= 1--      99.486                 81.573                137.938
 ROA2   Fr= 1--    -459.693                171.829                442.819
 CID2   Fr= 1--      -4.621                  2.106                  3.210
 Raman3 Fr= 1--     198.971                163.147                275.877
 ROA3   Fr= 1--   -2661.940                511.382               2871.331
 CID3   Fr= 1--     -13.379                  3.134                 10.408
 RC180  Fr= 1--       0.577                  0.707                  0.559
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01     0.05  -0.05  -0.05     0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.01
     4   6    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.01
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.01  -0.01  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
     9   6    -0.07  -0.00   0.05     0.01   0.00  -0.01     0.03  -0.00  -0.02
    10   6     0.02  -0.02  -0.02    -0.01   0.00   0.01     0.06  -0.02  -0.06
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   1     0.65   0.09   0.01    -0.09  -0.01  -0.00    -0.24  -0.03  -0.01
    13   1     0.22  -0.08  -0.57    -0.03   0.01   0.09    -0.10   0.04   0.27
    14   1     0.00   0.01   0.04    -0.00  -0.00  -0.01     0.01   0.01   0.06
    15   1    -0.17   0.25   0.11     0.04  -0.07  -0.03    -0.32   0.47   0.20
    16   1    -0.12  -0.06   0.16     0.04   0.02  -0.05    -0.38  -0.20   0.52
    17   1    -0.09   0.05   0.10    -0.57   0.31   0.60    -0.03   0.01   0.03
    18   1    -0.03   0.02  -0.02    -0.19   0.09  -0.14    -0.01   0.00  -0.01
    19   1     0.03   0.04   0.02     0.16   0.23   0.15     0.01   0.01   0.01
    20   1     0.02   0.04  -0.04     0.01   0.03  -0.03    -0.02  -0.05   0.05
    21   1     0.04   0.07   0.05     0.01   0.01   0.01    -0.01  -0.02  -0.02
    22   1     0.04  -0.02   0.02    -0.03   0.01  -0.01     0.01  -0.00   0.01
    23   1     0.00  -0.00  -0.01     0.01  -0.03  -0.10     0.00  -0.04  -0.11
    24   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    25   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    26   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3138.0357              3145.2780              3150.3690
 Red. masses --      1.0887                 1.1005                 1.0884
 Frc consts  --      6.3165                 6.4143                 6.3643
 IR Inten    --      1.7773                11.5884                16.1236
 RamAct Fr= 1--     54.4366                87.3073                37.1601
  Dep-P Fr= 1--      0.2104                 0.5004                 0.3966
  Dep-U Fr= 1--      0.3476                 0.6671                 0.5680
 Alpha2 Fr= 1--      0.7191                 0.4303                 0.2786
 Beta2  Fr= 1--      3.1538                 9.7064                 3.5178
 AlphaG Fr= 1--     -0.1967                -0.1393                 0.2605
 Gamma2 Fr= 1--      1.4343                -0.3771                -0.6202
 Delta2 Fr= 1--      1.1599                 0.0214                -1.0475
 Raman1 Fr= 1--     217.747                349.229                148.640
 ROA1   Fr= 1--     174.808                -35.519                -93.062
 CID1   Fr= 1--       0.803                 -0.102                 -0.626
 Raman2 Fr= 1--      37.846                116.477                 42.213
 ROA2   Fr= 1--      25.143                 -9.222                 -6.505
 CID2   Fr= 1--       0.664                 -0.079                 -0.154
 Raman3 Fr= 1--      75.691                232.954                 84.426
 ROA3   Fr= 1--     174.808                -35.519                -93.062
 CID3   Fr= 1--       2.309                 -0.152                 -1.102
 RC180  Fr= 1--      -0.305                  0.334                  0.136
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.02  -0.08     0.00  -0.00  -0.00     0.00  -0.01  -0.02
     5   6     0.00   0.01   0.02    -0.00  -0.00  -0.01    -0.00  -0.02  -0.08
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00   0.00    -0.06   0.01   0.06     0.01  -0.00  -0.01
    12   1    -0.02  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00   0.00
    13   1    -0.02   0.01   0.05    -0.00   0.00   0.00    -0.01   0.00   0.01
    14   1     0.00   0.02   0.07    -0.00   0.00   0.01    -0.00   0.01   0.05
    15   1    -0.04   0.06   0.02    -0.00   0.00   0.00    -0.01   0.01   0.00
    16   1    -0.03  -0.02   0.04    -0.00  -0.00   0.00    -0.01  -0.00   0.01
    17   1    -0.06   0.03   0.07    -0.00   0.00   0.00    -0.02   0.01   0.02
    18   1    -0.01   0.01  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1     0.01   0.02   0.01     0.00   0.00   0.00     0.00   0.01   0.00
    20   1    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23   1    -0.05   0.28   0.90    -0.00   0.01   0.04    -0.01   0.08   0.25
    24   1     0.00  -0.08  -0.26     0.00   0.05   0.15     0.00   0.28   0.90
    25   1     0.00  -0.00  -0.00     0.03  -0.23  -0.07    -0.01   0.05   0.02
    26   1    -0.00   0.00  -0.00    -0.04   0.15  -0.19     0.01  -0.03   0.04
    27   1    -0.00  -0.00   0.00     0.75  -0.03  -0.52    -0.12   0.01   0.08

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   799.028963580.371193676.58511
           X            0.99991   0.00265   0.01295
           Y           -0.00263   1.00000  -0.00120
           Z           -0.01295   0.00117   0.99992
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10840     0.02419     0.02356
 Rotational constants (GHZ):           2.25867     0.50407     0.49087
 Zero-point vibrational energy     621656.6 (Joules/Mol)
                                  148.57950 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     52.79    93.25   105.95   166.49   202.40
          (Kelvin)            218.39   314.08   352.06   376.30   392.49
                              480.36   516.50   522.32   597.19   633.58
                              700.75   846.08   889.94   902.89  1050.51
                             1188.19  1238.05  1259.88  1287.54  1335.89
                             1363.13  1375.21  1381.93  1412.24  1433.68
                             1475.97  1492.67  1508.88  1518.06  1659.86
                             1701.56  1731.66  1748.62  1774.55  1790.38
                             1815.67  1837.65  1858.09  1881.00  1926.62
                             1982.60  2003.46  2022.79  2047.94  2107.63
                             2121.25  2133.95  2137.54  2147.45  2160.81
                             2165.99  2171.47  2408.74  2534.99  4345.89
                             4354.10  4358.97  4391.27  4396.48  4416.75
                             4428.44  4433.50  4436.76  4443.56  4450.12
                             4463.60  4485.95  4514.93  4525.35  4532.68
 
 Zero-point correction=                           0.236777 (Hartree/Particle)
 Thermal correction to Energy=                    0.249324
 Thermal correction to Enthalpy=                  0.250268
 Thermal correction to Gibbs Free Energy=         0.197657
 Sum of electronic and zero-point Energies=           -465.873494
 Sum of electronic and thermal Energies=              -465.860947
 Sum of electronic and thermal Enthalpies=            -465.860003
 Sum of electronic and thermal Free Energies=         -465.912614
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.453             46.447            110.730
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.732
 Vibrational            154.676             40.486             39.030
 Vibration     1          0.594              1.982              5.430
 Vibration     2          0.597              1.971              4.305
 Vibration     3          0.599              1.966              4.054
 Vibration     4          0.608              1.936              3.171
 Vibration     5          0.615              1.913              2.795
 Vibration     6          0.619              1.901              2.650
 Vibration     7          0.646              1.813              1.973
 Vibration     8          0.660              1.772              1.768
 Vibration     9          0.669              1.743              1.651
 Vibration    10          0.676              1.723              1.578
 Vibration    11          0.715              1.608              1.241
 Vibration    12          0.734              1.557              1.126
 Vibration    13          0.737              1.548              1.109
 Vibration    14          0.778              1.438              0.909
 Vibration    15          0.800              1.382              0.825
 Vibration    16          0.843              1.279              0.691
 Vibration    17          0.945              1.057              0.471
 Vibration    18          0.978              0.993              0.419
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.121392D-90        -90.915808       -209.341385
 Total V=0       0.985665D+18         17.993730         41.432093
 Vib (Bot)       0.141790-104       -104.848355       -241.422260
 Vib (Bot)    1  0.564095D+01          0.751352          1.730052
 Vib (Bot)    2  0.318447D+01          0.503037          1.158284
 Vib (Bot)    3  0.279924D+01          0.447041          1.029349
 Vib (Bot)    4  0.176774D+01          0.247419          0.569704
 Vib (Bot)    5  0.144517D+01          0.159920          0.368229
 Vib (Bot)    6  0.133516D+01          0.125532          0.289048
 Vib (Bot)    7  0.906783D+00         -0.042497         -0.097852
 Vib (Bot)    8  0.799603D+00         -0.097126         -0.223640
 Vib (Bot)    9  0.742082D+00         -0.129548         -0.298296
 Vib (Bot)   10  0.707439D+00         -0.150311         -0.346103
 Vib (Bot)   11  0.558311D+00         -0.253124         -0.582840
 Vib (Bot)   12  0.510920D+00         -0.291647         -0.671543
 Vib (Bot)   13  0.503874D+00         -0.297678         -0.685429
 Vib (Bot)   14  0.424627D+00         -0.371992         -0.856544
 Vib (Bot)   15  0.392455D+00         -0.406210         -0.935333
 Vib (Bot)   16  0.341310D+00         -0.466851         -1.074964
 Vib (Bot)   17  0.257035D+00         -0.590007         -1.358541
 Vib (Bot)   18  0.236792D+00         -0.625634         -1.440575
 Vib (V=0)       0.115128D+05          4.061182          9.351218
 Vib (V=0)    1  0.616306D+01          0.789797          1.818574
 Vib (V=0)    2  0.372348D+01          0.570949          1.314659
 Vib (V=0)    3  0.334355D+01          0.524207          1.207032
 Vib (V=0)    4  0.233710D+01          0.368676          0.848909
 Vib (V=0)    5  0.202922D+01          0.307330          0.707654
 Vib (V=0)    6  0.192571D+01          0.284590          0.655294
 Vib (V=0)    7  0.153550D+01          0.186249          0.428854
 Vib (V=0)    8  0.144306D+01          0.159285          0.366767
 Vib (V=0)    9  0.139481D+01          0.144515          0.332758
 Vib (V=0)   10  0.136630D+01          0.135545          0.312104
 Vib (V=0)   11  0.124947D+01          0.096727          0.222722
 Vib (V=0)   12  0.121487D+01          0.084530          0.194637
 Vib (V=0)   13  0.120985D+01          0.082732          0.190497
 Vib (V=0)   14  0.115598D+01          0.062950          0.144947
 Vib (V=0)   15  0.113563D+01          0.055236          0.127185
 Vib (V=0)   16  0.110539D+01          0.043514          0.100195
 Vib (V=0)   17  0.106220D+01          0.026206          0.060341
 Vib (V=0)   18  0.105324D+01          0.022526          0.051867
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.116095D+07          6.064813         13.964748
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004807    0.000003208    0.000001796
      2        6           0.000012206    0.000002675   -0.000008426
      3        6          -0.000016537   -0.000001790    0.000008671
      4        6          -0.000000905    0.000000232   -0.000001319
      5        6          -0.000010355    0.000001729   -0.000002632
      6        6           0.000007774    0.000005198    0.000002837
      7        8           0.000001680   -0.000000345   -0.000003986
      8        6           0.000001780   -0.000002563   -0.000006244
      9        6          -0.000011527    0.000004764   -0.000000858
     10        6           0.000015185   -0.000007969    0.000002242
     11        6           0.000003111   -0.000004414   -0.000012246
     12        1          -0.000003612   -0.000001260   -0.000001459
     13        1          -0.000003177   -0.000001901    0.000000431
     14        1           0.000005451   -0.000000307    0.000002442
     15        1          -0.000000249   -0.000004247    0.000001284
     16        1           0.000000007    0.000000079   -0.000001757
     17        1           0.000000653   -0.000001257   -0.000001023
     18        1          -0.000000564    0.000001054    0.000000739
     19        1           0.000002772    0.000003426    0.000002259
     20        1          -0.000000546    0.000000310    0.000004049
     21        1          -0.000000536    0.000002522    0.000005005
     22        1          -0.000001380   -0.000000622    0.000001115
     23        1           0.000004011   -0.000002699   -0.000001481
     24        1          -0.000000966   -0.000000967    0.000002267
     25        1          -0.000000327    0.000003181    0.000003577
     26        1           0.000000452    0.000001123    0.000004088
     27        1           0.000000404    0.000000841   -0.000001372
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016537 RMS     0.000004688
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.168950D+03  0.531672D+01  0.286084D+01
      2   0.531672D+01  0.107658D+03  0.298302D+01
      3   0.286084D+01  0.298302D+01  0.111479D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.726564D+01 -0.795276D+01  0.521966D+01
      2   0.323570D+02 -0.867428D+01  0.391270D+01
      3   0.234971D+02 -0.391425D+02  0.140700D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.765867D+02 -0.257245D+02 -0.238472D+01
      2   0.671592D+02  0.416389D+01  0.868735D+01
      3   0.942754D+01  0.215606D+02 -0.630263D+01
      4  -0.372980D+02  0.916938D+02 -0.259525D+02
      5  -0.309724D+02 -0.280822D+02  0.517089D+01
      6  -0.126313D+02 -0.178024D+02 -0.117787D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.286260D+01  0.207904D+01 -0.372504D+01  0.147594D+01  0.398192D+00
      2   0.207904D+01  0.283811D+00  0.376222D+01  0.398192D+00  0.255846D+01
      3  -0.372504D+01  0.376222D+01  0.217795D+00  0.371246D+01  0.174702D+01
                 6             7             8             9            10 
      1   0.371246D+01 -0.419595D+01  0.377944D+01  0.332352D+00  0.205337D+02
      2   0.174702D+01  0.377944D+01  0.205689D+01 -0.806177D-02 -0.358977D+01
      3  -0.766739D+00  0.332352D+00 -0.806177D-02 -0.179432D+01  0.367794D+01
                11            12            13            14            15 
      1  -0.358977D+01  0.367794D+01 -0.784604D+01  0.223231D+01 -0.389927D+01
      2   0.504238D+00 -0.328314D+01  0.223231D+01 -0.395193D+01 -0.261428D+01
      3  -0.328314D+01 -0.615001D+00 -0.389927D+01 -0.261428D+01 -0.633141D-01
                16            17            18            19            20 
      1   0.156738D+02 -0.456570D+01  0.171272D+00 -0.426501D+02 -0.617704D+00
      2  -0.456570D+01 -0.251628D+01 -0.136704D+00 -0.617704D+00 -0.396090D+01
      3   0.171272D+00 -0.136704D+00  0.750278D+00 -0.180559D+01  0.996131D+00
                21            22            23            24            25 
      1  -0.180559D+01  0.476343D+01 -0.941306D+01  0.212084D+01 -0.600299D+01
      2   0.996131D+00 -0.941306D+01 -0.146631D+01 -0.935248D+00  0.187701D+01
      3   0.609594D-01  0.212084D+01 -0.935248D+00  0.211382D+01  0.258216D+00
                26            27            28            29            30 
      1   0.187701D+01  0.258216D+00  0.633331D+02  0.381602D+01  0.471310D+00
      2  -0.115734D+01  0.213809D+01  0.381602D+01  0.299192D+01 -0.503840D+00
      3   0.213809D+01  0.441226D+01  0.471310D+00 -0.503840D+00  0.151716D+01
                31            32            33            34            35 
      1   0.107666D+02  0.726240D+01 -0.194767D+01  0.884339D+01 -0.653448D+00
      2   0.726240D+01  0.308585D+01 -0.252684D-01 -0.653448D+00  0.716344D+00
      3  -0.194767D+01 -0.252684D-01 -0.120480D+01  0.183930D+01 -0.154420D+01
                36            37            38            39            40 
      1   0.183930D+01 -0.576556D+02 -0.341999D+01  0.292787D+01 -0.119812D+02
      2  -0.154420D+01 -0.341999D+01 -0.172698D+01  0.775261D+00 -0.522604D+01
      3  -0.316737D+01  0.292787D+01  0.775261D+00 -0.116351D+01  0.152886D+01
                41            42            43            44            45 
      1  -0.522604D+01  0.152886D+01 -0.111085D+02 -0.454204D+00 -0.387265D+01
      2  -0.245491D+01 -0.861431D+00 -0.454204D+00 -0.137469D+01  0.162573D+01
      3  -0.861431D+00  0.188892D+01 -0.387265D+01  0.162573D+01  0.268286D+01
                46            47            48            49            50 
      1   0.183065D+02  0.923879D+00 -0.339637D+01 -0.487327D+01 -0.632339D+00
      2   0.923879D+00 -0.803611D+00 -0.384311D-01 -0.632339D+00 -0.616819D+00
      3  -0.339637D+01 -0.384311D-01 -0.702700D+00  0.268353D+01 -0.786206D+00
                51            52            53            54            55 
      1   0.268353D+01 -0.258260D+02  0.642441D+00  0.859855D+01 -0.510415D+01
      2  -0.786206D+00  0.642441D+00  0.647996D-01 -0.903613D+00  0.613696D+00
      3  -0.166871D+01  0.859855D+01 -0.903613D+00 -0.624021D+01  0.266975D+01
                56            57            58            59            60 
      1   0.613696D+00  0.266975D+01  0.779192D+01 -0.178682D+01 -0.264053D+01
      2  -0.341405D+00 -0.386900D+00 -0.178682D+01  0.180436D+01  0.287527D+01
      3  -0.386900D+00 -0.102480D+01 -0.264053D+01  0.287527D+01  0.167134D+01
                61            62            63            64            65 
      1   0.256011D+02 -0.228094D+00 -0.983322D+01 -0.705341D+01  0.207176D+01
      2  -0.228094D+00  0.165044D+01  0.121842D+01  0.207176D+01 -0.527767D-01
      3  -0.983322D+01  0.121842D+01  0.112682D+02 -0.256861D+01  0.387626D+01
                66            67            68            69            70 
      1  -0.256861D+01  0.243772D+01 -0.958046D+00  0.379163D+01 -0.686871D+01
      2   0.387626D+01 -0.958046D+00  0.161794D+01  0.345118D+01  0.406841D+01
      3   0.857534D+00  0.379163D+01  0.345118D+01 -0.901849D+00 -0.403883D-01
                71            72            73            74            75 
      1   0.406841D+01 -0.403883D-01 -0.615149D+01 -0.152044D+01 -0.133422D+01
      2   0.317268D+01 -0.296702D+00 -0.152044D+01  0.177762D+01 -0.471765D+00
      3  -0.296702D+00  0.131343D+01 -0.133422D+01 -0.471765D+00  0.252416D+01
                76            77            78            79            80 
      1  -0.177413D+01  0.266706D+01 -0.686093D+00  0.392118D+00 -0.178190D+00
      2   0.266706D+01  0.482273D+01  0.315360D+01 -0.178190D+00  0.277544D+01
      3  -0.686093D+00  0.315360D+01 -0.101770D+01  0.233573D+01 -0.157270D+01
                81            82            83            84            85 
      1   0.233573D+01  0.706046D+01  0.274396D+01  0.733911D+00  0.551630D+01
      2  -0.157270D+01  0.274396D+01  0.396078D+01  0.303915D+01  0.572609D+01
      3  -0.312739D+01  0.733911D+00  0.303915D+01 -0.273310D+01  0.220411D+01
                86            87            88            89            90 
      1   0.572609D+01  0.220411D+01  0.793076D+01  0.543089D+01 -0.333909D+01
      2  -0.145279D+01 -0.109871D+00  0.543089D+01  0.553442D-01 -0.256057D+00
      3  -0.109871D+00  0.370030D-01 -0.333909D+01 -0.256057D+00  0.663238D+00
                91            92            93            94            95 
      1   0.148191D+01 -0.133143D+01 -0.444630D+01 -0.241012D+01  0.474867D+00
      2  -0.133143D+01 -0.895670D+00 -0.103586D+01  0.474867D+00  0.388694D+01
      3  -0.444630D+01 -0.103586D+01  0.127756D+01 -0.977394D+00  0.354479D+01
                96            97            98            99           100 
      1  -0.977394D+00 -0.719912D+01 -0.970563D+00  0.350954D+01  0.110863D+02
      2   0.354479D+01 -0.970563D+00  0.284390D+01 -0.959002D+00  0.223517D+01
      3  -0.143834D+01  0.350954D+01 -0.959002D+00  0.383536D+01  0.232049D+01
               101           102           103           104           105 
      1   0.223517D+01  0.232049D+01  0.104491D+01  0.143800D+01  0.268294D+00
      2   0.183566D+01  0.586465D+00  0.143800D+01  0.549599D+00  0.119272D+00
      3   0.586465D+00  0.146974D+01  0.268294D+00  0.119272D+00  0.263528D+00
               106           107           108           109           110 
      1   0.461413D+00  0.180859D+00  0.109251D+01 -0.169427D+00  0.420139D+00
      2   0.180859D+00 -0.233765D+00  0.479839D+00  0.420139D+00 -0.874218D+00
      3   0.109251D+01  0.479839D+00  0.102634D+01  0.936385D+00 -0.256671D+00
               111           112           113           114           115 
      1   0.936385D+00  0.179853D+00 -0.173457D+00  0.897557D-01  0.109196D+01
      2  -0.256671D+00 -0.173457D+00  0.409567D+00  0.787498D+00  0.104712D+00
      3  -0.192939D+01  0.897557D-01  0.787498D+00  0.950630D+00  0.548459D-01
               116           117           118           119           120 
      1   0.104712D+00  0.548459D-01 -0.364853D+00 -0.389209D+00 -0.794114D+00
      2   0.169341D+01  0.163413D+01 -0.389209D+00  0.273310D+00 -0.128010D+00
      3   0.163413D+01  0.777529D+01 -0.794114D+00 -0.128010D+00 -0.373510D+00
               121           122           123           124           125 
      1  -0.181178D+01  0.430264D+00 -0.268727D-01 -0.136478D+01  0.858919D-02
      2   0.430264D+00 -0.505291D+00 -0.104146D+01  0.858919D-02 -0.117196D+01
      3  -0.268727D-01 -0.104146D+01 -0.129446D+01  0.116593D+00 -0.772012D+00
               126           127           128           129           130 
      1   0.116593D+00 -0.193878D+01  0.145438D+01  0.540473D-01  0.127115D+00
      2  -0.772012D+00  0.145438D+01 -0.397176D+01 -0.563639D+00 -0.164496D+01
      3  -0.718497D+01  0.540473D-01 -0.563639D+00 -0.331674D+00 -0.364605D+00
               131           132           133           134           135 
      1  -0.164496D+01 -0.364605D+00  0.207505D+00 -0.707066D+00  0.170105D+00
      2   0.799032D+01  0.642278D+00 -0.707066D+00  0.207399D+01  0.130170D+01
      3   0.642278D+00  0.981161D+00  0.170105D+00  0.130170D+01  0.567832D+00
               136           137           138           139           140 
      1   0.279593D+01  0.150834D+01 -0.178757D+01 -0.799027D-01  0.107669D+01
      2   0.150834D+01  0.164833D+01 -0.144484D+01  0.107669D+01  0.253098D+01
      3  -0.178757D+01 -0.144484D+01  0.223799D+01 -0.105630D+01 -0.156928D+01
               141           142           143           144           145 
      1  -0.105630D+01 -0.448841D+01 -0.249113D+01  0.267974D+01 -0.291995D+01
      2  -0.156928D+01 -0.249113D+01 -0.296365D+01  0.242947D+01  0.400035D+00
      3   0.137754D+01  0.267974D+01  0.242947D+01 -0.427822D+01  0.184117D+01
               146           147           148           149           150 
      1   0.400035D+00  0.184117D+01  0.134295D+01 -0.855259D+00 -0.583892D+00
      2  -0.108000D+01 -0.153784D+00 -0.855259D+00  0.694244D+00  0.202302D+00
      3  -0.153784D+00 -0.241417D+01 -0.583892D+00  0.202302D+00  0.130418D+01
               151           152           153           154           155 
      1   0.180748D+01 -0.474541D+00 -0.187312D+01  0.542191D+01 -0.270538D+01
      2  -0.474541D+00  0.724289D+00  0.130788D-01 -0.270538D+01  0.288527D+01
      3  -0.187312D+01  0.130788D-01  0.423644D+01  0.287061D+01 -0.213581D+01
               156           157           158           159           160 
      1   0.287061D+01 -0.155993D+01  0.179756D+01 -0.136782D+01  0.199662D+01
      2  -0.213581D+01  0.179756D+01 -0.273851D+01  0.140708D+01 -0.164774D+01
      3   0.278659D+01 -0.136782D+01  0.140708D+01 -0.125234D+01  0.205166D+01
               161           162           163           164           165 
      1  -0.164774D+01  0.205166D+01 -0.135259D+01 -0.150290D+01 -0.605071D-01
      2   0.144852D+01 -0.179609D+01 -0.150290D+01 -0.248824D+01 -0.576881D+00
      3  -0.179609D+01  0.307408D+01 -0.605071D-01 -0.576881D+00 -0.674499D+00
               166           167           168           169           170 
      1  -0.123143D+01 -0.138892D+01 -0.537315D+00 -0.604344D+00 -0.817430D+00
      2  -0.138892D+01 -0.618904D+01 -0.809047D+00 -0.817430D+00 -0.290018D+01
      3  -0.537315D+00 -0.809047D+00 -0.116451D+01 -0.442449D+00 -0.982387D+00
               171           172           173           174           175 
      1  -0.442449D+00  0.265139D+01  0.791041D+00 -0.125730D+01  0.211603D+01
      2  -0.982387D+00  0.791041D+00  0.706101D+00 -0.995940D+00  0.908489D+00
      3  -0.110943D+01 -0.125730D+01 -0.995940D+00  0.131413D+01 -0.188314D+01
               176           177           178           179           180 
      1   0.908489D+00 -0.188314D+01 -0.152499D+01 -0.110024D+01  0.205689D+01
      2   0.256305D+01 -0.176388D+01 -0.110024D+01 -0.179177D+01  0.148187D+01
      3  -0.176388D+01  0.263265D+01  0.205689D+01  0.148187D+01 -0.395855D+01
               181           182           183           184           185 
      1  -0.444598D+00 -0.723094D+00 -0.173228D+00 -0.137166D+01  0.262686D+00
      2  -0.723094D+00 -0.185011D+01 -0.133579D+01  0.262686D+00 -0.509240D+01
      3  -0.173228D+00 -0.133579D+01 -0.148256D+01 -0.114370D+00 -0.288903D+01
               186           187           188           189           190 
      1  -0.114370D+00 -0.292127D+00 -0.287730D+00  0.102078D+00  0.851636D+01
      2  -0.288903D+01 -0.287730D+00 -0.275296D+01 -0.224588D+01 -0.312353D+01
      3  -0.240049D+01  0.102078D+00 -0.224588D+01 -0.310940D+01  0.116575D+01
               191           192           193           194           195 
      1  -0.312353D+01  0.116575D+01 -0.277227D+01  0.232863D+01 -0.647949D+00
      2   0.201336D+01 -0.688492D+00  0.232863D+01 -0.206925D+01  0.632883D-01
      3  -0.688492D+00  0.124215D+01 -0.647949D+00  0.632883D-01 -0.526518D+00
               196           197           198           199           200 
      1   0.500279D+01 -0.182963D+01  0.126112D+01  0.146989D+01  0.575739D+00
      2  -0.182963D+01  0.108669D+01 -0.576433D+00  0.575739D+00 -0.112997D-01
      3   0.126112D+01 -0.576433D+00  0.123864D+01  0.774212D+00 -0.192045D-01
               201           202           203           204           205 
      1   0.774212D+00  0.152163D+01 -0.103655D+01  0.280336D+00  0.190992D+01
      2  -0.192045D-01 -0.103655D+01  0.620441D+00  0.103046D+01  0.605799D+00
      3  -0.100295D+00  0.280336D+00  0.103046D+01  0.112653D+01  0.514009D+00
               206           207           208           209           210 
      1   0.605799D+00  0.514009D+00 -0.141260D+01 -0.617618D+00 -0.116376D+01
      2   0.139666D+01  0.115426D+01 -0.617618D+00 -0.562510D-01 -0.876187D-01
      3   0.115426D+01  0.453563D+01 -0.116376D+01 -0.876187D-01  0.213340D+00
               211           212           213           214           215 
      1  -0.965537D+00  0.298930D+00 -0.731579D+00 -0.187818D+01 -0.574393D+00
      2   0.298930D+00 -0.525781D+00 -0.859373D+00 -0.574393D+00 -0.125322D+01
      3  -0.731579D+00 -0.859373D+00 -0.176207D+01 -0.103305D+01 -0.160058D+01
               216           217           218           219           220 
      1  -0.103305D+01 -0.945743D+00 -0.607863D+00  0.393878D+00 -0.333088D+01
      2  -0.160058D+01 -0.607863D+00  0.574191D+00  0.382837D+00 -0.192971D+01
      3  -0.649424D+01  0.393878D+00  0.382837D+00  0.253774D+00 -0.813227D+00
               221           222           223           224           225 
      1  -0.192971D+01 -0.813227D+00 -0.116744D+01 -0.479388D+00 -0.138516D+01
      2  -0.729801D+01 -0.267747D+01 -0.479388D+00 -0.211749D+01 -0.156275D+01
      3  -0.267747D+01 -0.198608D+01 -0.138516D+01 -0.156275D+01 -0.227989D+01
               226           227           228           229           230 
      1  -0.258508D+01  0.788030D+00 -0.570636D+00  0.247137D+01 -0.114385D+01
      2   0.788030D+00 -0.263049D+00  0.496205D+00 -0.114385D+01  0.158180D+01
      3  -0.570636D+00  0.496205D+00 -0.785533D+00  0.147386D+01 -0.217528D+01
               231           232           233           234           235 
      1   0.147386D+01 -0.347176D+01  0.355814D+00 -0.321974D+01 -0.904654D+01
      2  -0.217528D+01  0.355814D+00 -0.217959D+01  0.170566D+01 -0.272298D+00
      3   0.286156D+01 -0.321974D+01  0.170566D+01 -0.627646D+01  0.224593D+01
               236           237           238           239           240 
      1  -0.272298D+00  0.224593D+01  0.452319D+00 -0.111316D+01  0.124366D+00
      2  -0.107833D+01  0.192075D+00 -0.111316D+01 -0.355259D+00  0.930884D-01
      3   0.192075D+00 -0.164216D+01  0.124366D+00  0.930884D-01  0.239085D+00
               241           242           243 
      1   0.507448D+01  0.405532D+00 -0.210564D+01
      2   0.405532D+00  0.653499D+00  0.309379D-01
      3  -0.210564D+01  0.309379D-01  0.164054D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.509174D+01  0.852115D+01  0.613888D+01  0.808679D+01  0.855086D+01
      2  -0.707258D+01  0.206672D+01  0.727945D+01  0.610444D+01  0.180708D+01
      3  -0.311815D+01 -0.828358D+01  0.131425D+01 -0.620138D+00 -0.507337D+01
                 6             7             8             9            10 
      1  -0.119340D+01  0.607265D+01  0.552617D+01 -0.460016D+01  0.580138D+01
      2  -0.604173D+01  0.326258D+01 -0.581040D+01 -0.359233D+01  0.187716D+02
      3  -0.100780D+02  0.302607D+00 -0.114104D+02 -0.925430D+00  0.107076D+02
                11            12            13            14            15 
      1  -0.519105D+01 -0.376800D+00 -0.841046D+01 -0.497715D+01 -0.528234D+01
      2  -0.858978D+01  0.273914D+01 -0.123590D+02 -0.371896D+01 -0.541099D+00
      3  -0.325198D+01  0.716572D+01  0.624208D+01  0.995623D+01  0.991374D+01
                16            17            18            19            20 
      1   0.399282D+01  0.385003D+01 -0.510125D+00 -0.437828D+00  0.332944D+01
      2   0.358087D+01 -0.184497D+00  0.242202D+01 -0.306727D+02 -0.918791D+00
      3   0.103233D+02  0.104720D+02  0.525049D+00 -0.184922D+02 -0.415541D+01
                21            22            23            24            25 
      1  -0.123293D+01  0.137216D+02  0.409858D+01 -0.168409D+01 -0.483681D+01
      2   0.181818D+01  0.215723D+01 -0.716971D+01  0.334666D+01 -0.153230D+02
      3  -0.215007D+01  0.535077D+01 -0.683823D+01  0.281868D+01 -0.373789D+01
                26            27            28            29            30 
      1   0.494935D+01 -0.361685D+01 -0.525659D+01  0.375883D+00 -0.180492D-01
      2   0.212273D+01  0.172625D+01  0.407564D+02  0.443399D+01 -0.377922D+01
      3   0.436534D+00 -0.851431D+00  0.185111D+02  0.783415D+01 -0.101875D+01
                31            32            33            34            35 
      1  -0.366927D+01 -0.282123D+01 -0.285849D+01  0.180488D+01 -0.134196D+00
      2   0.120740D+02  0.372784D+01 -0.120387D+01 -0.137456D+02 -0.132584D+01
      3   0.349787D+02  0.730099D+01  0.490879D+00 -0.108639D+01 -0.986172D+00
                36            37            38            39            40 
      1   0.311301D+01  0.390202D+01  0.924876D+00 -0.679323D+00  0.692290D+01
      2   0.138413D+01 -0.466592D+02 -0.369434D+01  0.127398D+02 -0.131457D+02
      3  -0.154859D+00 -0.155434D+02 -0.106258D+02  0.139352D+01 -0.884712D+01
                41            42            43            44            45 
      1   0.921263D+00 -0.464587D+01  0.211452D+01  0.866944D-02  0.823391D+00
      2  -0.245771D+01 -0.121849D+01 -0.135669D+02 -0.359343D+01 -0.645348D+01
      3  -0.586591D+01 -0.120761D+01  0.104024D-01  0.643585D+00  0.111019D+01
                46            47            48            49            50 
      1  -0.215283D+00 -0.200494D+01  0.227952D+01  0.621628D+01 -0.369784D+01
      2   0.123484D+02  0.315017D+01 -0.356955D+01 -0.555691D+01  0.215180D+01
      3   0.349138D+00  0.115685D+02 -0.454105D+01  0.232386D+02  0.152978D+01
                51            52            53            54            55 
      1  -0.723416D+01  0.255710D+01 -0.416750D+01  0.225747D+01 -0.121563D+01
      2   0.655098D+01 -0.502352D+02  0.414268D+00  0.292651D+02 -0.198244D+01
      3  -0.216350D+01 -0.559032D+01 -0.864673D+01 -0.160593D+01  0.306094D+00
                56            57            58            59            60 
      1   0.455348D+00 -0.416294D+00 -0.126938D+00  0.268826D+01 -0.160347D+01
      2   0.108227D+01  0.682121D+01  0.849140D+01 -0.865440D+01 -0.830850D+01
      3  -0.699988D+01 -0.633376D-01 -0.642312D+01  0.579343D+01  0.792995D+01
                61            62            63            64            65 
      1  -0.152660D+01  0.912356D+01 -0.387245D+00 -0.483442D+01  0.526340D+01
      2   0.301735D+02 -0.379722D+01 -0.449840D+02 -0.145663D+02  0.151173D+02
      3   0.482099D+01  0.125621D+02  0.278304D+01 -0.138630D+01 -0.403830D+01
                66            67            68            69            70 
      1  -0.453105D+01  0.747064D+01  0.268481D+01 -0.742900D+01 -0.724931D+01
      2   0.180962D+01  0.144184D+02  0.112722D+02  0.176129D+01 -0.973806D+01
      3  -0.106583D+02  0.534766D+01 -0.553043D+01 -0.172583D+02 -0.116771D+02
                71            72            73            74            75 
      1  -0.161047D+01  0.329961D+01 -0.173397D+01  0.546077D+01 -0.472759D+01
      2   0.443596D+01  0.611314D+01  0.746436D+01  0.178780D+01  0.120778D+02
      3  -0.158829D+02  0.126514D+01 -0.176134D+01 -0.122726D+02  0.826116D+00
                76            77            78            79            80 
      1   0.226280D+01  0.103388D+01  0.430633D+01 -0.395913D+01  0.897167D+01
      2   0.341395D+00  0.612238D+01 -0.319888D+01  0.459607D+01 -0.506497D+01
      3  -0.616399D+01 -0.108741D+02 -0.115657D+02  0.201000D+01 -0.105717D+02
                81            82            83            84            85 
      1   0.163063D+01 -0.345700D+01 -0.120824D+02  0.687450D+01 -0.145326D+02
      2  -0.128335D+02  0.743385D+01  0.677764D+01 -0.258612D+01  0.813053D+01
      3   0.860436D+01  0.150192D+01 -0.671646D+01 -0.532987D+01  0.631683D+01
                86            87            88            89            90 
      1   0.721532D+00 -0.364048D+01  0.467466D+01  0.242664D+01 -0.615851D+00
      2   0.416141D+01  0.171607D+01 -0.279596D+01  0.280295D+01 -0.123460D+01
      3   0.137155D+02  0.686602D+01 -0.721731D+00  0.121173D+02 -0.823896D+01
                91            92            93            94            95 
      1  -0.451552D+00  0.212851D+01  0.119034D+01 -0.578209D+01 -0.240114D+01
      2   0.184150D+02  0.277697D+01 -0.524859D+01  0.321510D+01 -0.152048D+02
      3  -0.664700D+01 -0.972164D+01 -0.252519D+01  0.125492D+02  0.182279D+02
                96            97            98            99           100 
      1  -0.794058D+01  0.443037D+01 -0.875875D+00  0.345028D+01 -0.810205D+00
      2   0.688550D+01 -0.238738D+02  0.315043D+01 -0.135204D+02 -0.452319D+01
      3   0.197390D+02 -0.382954D+01  0.113314D+02 -0.667197D+01  0.651212D+01
               101           102           103           104           105 
      1   0.192494D+01 -0.174338D+01  0.351516D+00  0.168908D+00 -0.133580D+01
      2  -0.131469D+00  0.524508D+01 -0.594591D+00 -0.868427D+00  0.728929D+00
      3  -0.649829D+01  0.786103D+00 -0.731737D+00 -0.109274D+00  0.590105D+00
               106           107           108           109           110 
      1  -0.930735D+00  0.549522D-01 -0.701322D+00 -0.684711D+00 -0.181393D+01
      2   0.121674D+01  0.962254D+00  0.222890D+01  0.391040D+01 -0.108666D+01
      3   0.258830D+00  0.749217D+00 -0.962907D-01 -0.169229D+01  0.213647D+01
               111           112           113           114           115 
      1   0.221851D+01 -0.845367D+00 -0.687776D+00 -0.131732D+01  0.356128D+00
      2  -0.606665D+01 -0.448040D+00  0.278609D+01  0.246682D+01 -0.510680D+01
      3   0.171238D+01  0.227897D+01 -0.846339D+00 -0.178305D+01  0.169676D+01
               116           117           118           119           120 
      1   0.259775D+01 -0.732832D+01  0.101052D+01  0.428048D+00  0.199894D+00
      2   0.410450D+01  0.218819D+02 -0.225433D+01 -0.525267D+00  0.191854D+00
      3  -0.369302D+01 -0.448533D+01  0.328146D+00 -0.114633D+01 -0.411704D+00
               121           122           123           124           125 
      1   0.747195D+00  0.155673D+01  0.475588D+00 -0.136214D+00  0.466069D+01
      2  -0.150330D+01 -0.448239D+00 -0.133070D+01 -0.428678D+01 -0.469284D+00
      3   0.227237D+01  0.334020D+00  0.616605D+00 -0.499734D+00  0.281495D+00
               126           127           128           129           130 
      1   0.353878D+01 -0.678910D+00  0.295110D+01  0.214687D+01  0.141938D+01
      2  -0.653052D+01 -0.523787D+00 -0.690994D+00  0.310013D+00 -0.152631D+01
      3   0.688358D+00 -0.827423D+01  0.884605D+01  0.118325D+01  0.830944D+01
               131           132           133           134           135 
      1  -0.450510D+01 -0.505493D+01  0.589461D-01 -0.253258D+01 -0.242098D+01
      2   0.394431D+00  0.601458D+00 -0.910324D+00  0.176006D+01  0.100289D+01
      3  -0.171944D+02 -0.180324D+01  0.270642D+01 -0.529316D+01 -0.197624D+01
               136           137           138           139           140 
      1   0.341133D+01  0.177966D+01 -0.520476D+01  0.218015D+01  0.200826D+01
      2  -0.826740D+00 -0.174443D+01  0.444484D+01 -0.197716D+01 -0.217291D+01
      3   0.360417D+01 -0.222025D+01 -0.973861D+00  0.117032D+00 -0.311213D+01
               141           142           143           144           145 
      1  -0.303792D+01 -0.452795D+01 -0.105803D+01  0.922030D+01  0.559191D+01
      2   0.246415D+01  0.489485D-01  0.289064D+01 -0.625838D+01  0.101931D+02
      3   0.545149D+00 -0.392117D+01  0.168110D+01  0.816505D+00  0.572868D+01
               146           147           148           149           150 
      1  -0.388009D+01 -0.463176D+01 -0.373525D+01  0.292101D+01  0.140171D+01
      2  -0.146784D+01 -0.513312D+01 -0.444962D+01  0.181741D+01  0.264218D+01
      3  -0.520130D+00 -0.335997D+01  0.288745D+00  0.490682D+00  0.100036D+01
               151           152           153           154           155 
      1  -0.485952D+01  0.344486D+01  0.725545D+01  0.169543D+01  0.512259D+00
      2  -0.833629D+01  0.102155D+01  0.854085D+01 -0.239643D+01 -0.108031D+01
      3  -0.351272D+01  0.110800D+01  0.392037D+01 -0.454973D+01 -0.282239D+01
               156           157           158           159           160 
      1   0.322662D+01 -0.179554D+00 -0.115870D+01 -0.207094D+01  0.131456D+01
      2   0.361367D+01  0.167175D+01  0.416141D+00 -0.695406D+00 -0.172341D+01
      3  -0.404892D+00  0.215185D+01  0.257672D+01  0.252895D+00 -0.256629D+01
               161           162           163           164           165 
      1   0.203821D+00  0.379664D+01 -0.230167D+01 -0.434909D+01 -0.332832D+01
      2  -0.716311D+00  0.359101D+01  0.182736D+01  0.132888D+01  0.234502D+00
      3  -0.364779D-01 -0.337084D+00  0.756524D+01  0.600888D+01  0.150613D+01
               166           167           168           169           170 
      1  -0.310705D+01 -0.916986D+01 -0.569852D+01 -0.219120D+01 -0.373983D+01
      2   0.100278D+01  0.171124D+01  0.325026D-02 -0.110731D+01  0.715569D-01
      3   0.734089D+01  0.132422D+02  0.242987D+01  0.397757D+01  0.664132D+01
               171           172           173           174           175 
      1  -0.456892D+01 -0.241849D+01 -0.241265D+01  0.245567D+01 -0.247159D+01
      2  -0.393803D+00 -0.133773D+01 -0.229257D+01  0.408883D+01 -0.266623D+01
      3   0.278507D+01 -0.401345D+01 -0.408957D+01  0.451706D+01 -0.302284D+01
               176           177           178           179           180 
      1  -0.720324D+01  0.365869D+01  0.333834D+01  0.608801D+01 -0.534474D+01
      2  -0.515663D+01  0.738291D+01  0.291770D+01  0.391600D+01 -0.110893D+02
      3  -0.109049D+02  0.723433D+01  0.451932D+01  0.784533D+01 -0.660870D+01
               181           182           183           184           185 
      1   0.645284D+00  0.752955D+00 -0.111398D+01  0.267601D-01  0.260118D+01
      2  -0.249140D+01 -0.509883D+01 -0.393419D+01 -0.308666D+01 -0.980030D+01
      3   0.451964D+01  0.588596D+01  0.453515D+01  0.318731D+01  0.163216D+02
               186           187           188           189           190 
      1  -0.219481D+01  0.542810D+00  0.195537D+01 -0.243071D+01  0.460103D+01
      2  -0.813630D+01 -0.195948D+01 -0.795135D+01 -0.984938D+01  0.112554D+02
      3   0.982753D+01  0.259621D+01  0.990808D+01  0.776388D+01  0.236694D+00
               191           192           193           194           195 
      1  -0.261852D+01  0.319247D+01 -0.280714D+01  0.169975D+01 -0.189656D+01
      2  -0.536103D+01  0.816575D+01 -0.478775D+01  0.217837D+01 -0.349879D+01
      3  -0.598837D+01  0.102317D+01 -0.278322D+01  0.518300D+01  0.559782D+00
               196           197           198           199           200 
      1   0.279240D+01 -0.420557D+00  0.245665D+01  0.361698D+00 -0.504158D+00
      2   0.646109D+01 -0.313460D+01  0.637021D+01  0.352089D+00  0.202036D+00
      3   0.188497D+01 -0.269225D+01  0.536916D+00  0.131458D+01  0.553166D-01
               201           202           203           204           205 
      1   0.102614D+00 -0.449176D+01  0.227660D-01 -0.108311D+01  0.612377D+00
      2  -0.409800D+00 -0.170240D+01 -0.188835D+01 -0.373080D-01 -0.368024D+01
      3   0.416622D+00  0.784882D+00  0.330710D+00  0.856762D+00  0.206074D+01
               206           207           208           209           210 
      1   0.286247D+01 -0.346360D+01  0.151493D+01 -0.960925D-02  0.798989D-01
      2   0.601465D+00 -0.269390D+01  0.115148D+01 -0.318056D+00 -0.739840D+00
      3   0.155863D+01 -0.113539D-01 -0.273804D+01 -0.617220D+00 -0.182609D+00
               211           212           213           214           215 
      1  -0.573349D+01  0.486089D+00 -0.435803D-01  0.190018D+01  0.439118D+01
      2   0.134226D+01  0.179967D+01  0.266330D+01 -0.285569D+01  0.243240D+01
      3   0.890659D+01 -0.137009D+00 -0.166674D+01 -0.279977D+01 -0.295348D+01
               216           217           218           219           220 
      1   0.395247D+00 -0.745393D-01 -0.635503D+00 -0.155713D+00  0.191809D+01
      2   0.105601D+02 -0.104392D+01 -0.185830D+01  0.508733D+00 -0.650383D+00
      3  -0.320218D+01 -0.331804D-01  0.295674D+01  0.211055D+01 -0.653365D+01
               221           222           223           224           225 
      1   0.561909D+01 -0.267664D+00  0.729233D-01  0.211555D+01  0.539304D-01
      2   0.959151D+01  0.757683D+01  0.351205D+01  0.601027D+01  0.793353D+01
      3  -0.322074D+02 -0.123918D+02 -0.103117D+01 -0.920199D+01 -0.672727D+01
               226           227           228           229           230 
      1  -0.432901D+00  0.569130D+00 -0.850420D+00  0.221884D+01 -0.299481D+01
      2  -0.396674D-01 -0.139815D+01  0.391366D+01 -0.407447D+01  0.842784D+01
      3   0.178210D+01 -0.276340D+01  0.204722D+01 -0.727945D+01  0.721814D+01
               231           232           233           234           235 
      1   0.246803D+01 -0.253428D+01  0.431009D+01 -0.457416D+01  0.155994D+01
      2  -0.117001D+02  0.887376D+01 -0.722466D+01  0.243570D+02 -0.160583D+02
      3  -0.108323D+02  0.423967D+01 -0.950360D+01  0.101417D+02  0.262480D+01
               236           237           238           239           240 
      1   0.124417D+00 -0.109541D+01  0.918807D+00  0.341358D+00 -0.540662D+00
      2  -0.974478D+00  0.112082D+02 -0.420700D+00 -0.825012D+00 -0.879160D+00
      3  -0.639460D+01 -0.409642D+00 -0.277302D+01 -0.869014D+00  0.509078D+00
               241           242           243 
      1  -0.122656D+01  0.832453D+00  0.763622D+00
      2   0.101179D+02 -0.829499D-01 -0.937393D+01
      3  -0.433992D+00  0.353583D+01  0.952407D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.705113D+01  0.631649D+01 -0.605229D+01  0.314921D+01  0.257495D+01
      2  -0.102614D+01 -0.152861D+02 -0.878424D+01 -0.114191D+02 -0.126351D+02
      3  -0.602498D+01  0.896959D+01  0.148365D+02  0.826988D+01  0.100601D+02
      4   0.138134D+02 -0.873769D+01  0.220938D+02 -0.589802D+01  0.626381D+01
      5  -0.172619D+02  0.183873D+02 -0.864400D+01  0.177303D+02  0.359345D+01
      6   0.137297D+02 -0.154214D+02  0.787967D+01 -0.106610D+02 -0.683094D+01
                 6             7             8             9            10 
      1   0.206681D+02 -0.665041D+01  0.207613D+02  0.171763D+01 -0.167108D+01
      2  -0.152275D+02 -0.927844D+01 -0.179395D+02  0.391874D+01  0.978370D+01
      3  -0.544060D+01  0.159289D+02 -0.282184D+01 -0.563637D+01 -0.811261D+01
      4  -0.616591D+01  0.228826D+02 -0.899087D+01  0.215734D+01 -0.153269D+02
      5   0.557791D+01 -0.797430D+01  0.797944D+01 -0.562360D+01  0.120761D+02
      6   0.367832D+01  0.650807D+01  0.237488D+01  0.191289D+01 -0.101195D+02
                11            12            13            14            15 
      1  -0.369188D+01  0.645526D+01 -0.718178D+01 -0.712286D+01 -0.196620D+02
      2   0.225963D+01  0.711684D+00  0.321170D+01  0.106892D+02  0.908669D+01
      3   0.143225D+01 -0.716694D+01  0.397009D+01 -0.356635D+01  0.105753D+02
      4   0.282777D+01 -0.180996D+02  0.687052D+01 -0.225883D+02 -0.783514D+01
      5  -0.155680D+02 -0.672410D+01 -0.172558D+02 -0.162784D+02  0.915035D+00
      6   0.819685D+01 -0.139233D+01 -0.172844D+01  0.943132D+00 -0.677382D+01
                16            17            18            19            20 
      1   0.451357D+01 -0.186125D+02 -0.670237D+01  0.411597D+02  0.811896D+01
      2   0.745558D+01  0.107767D+02 -0.157005D+01 -0.429483D+02 -0.114144D+02
      3  -0.119691D+02  0.783578D+01  0.827242D+01  0.178857D+01  0.329546D+01
      4  -0.263545D+02 -0.375735D+01  0.346402D+00  0.284791D+00 -0.109945D+02
      5  -0.770642D+01  0.801784D-01  0.317515D+01  0.461597D+01  0.269296D+01
      6  -0.165088D+01 -0.420639D+01 -0.418277D+00  0.743057D+01 -0.160939D+01
                21            22            23            24            25 
      1   0.224264D+01  0.182854D+02  0.479210D+01  0.550912D+01  0.252796D+01
      2  -0.184719D+01 -0.184045D+02 -0.124185D+02  0.156917D+01 -0.607731D+01
      3  -0.395448D+00  0.119052D+00  0.762639D+01 -0.707829D+01  0.354935D+01
      4   0.401295D+01 -0.340595D+02 -0.543162D+01 -0.300822D+01  0.101477D+02
      5   0.489868D+01  0.191010D+01  0.222884D+01  0.298000D+01  0.424351D+01
      6   0.181929D+01  0.708799D+01  0.440287D+01  0.196657D+01  0.228842D+01
                26            27            28            29            30 
      1   0.765458D+01  0.159253D+02 -0.120564D+03 -0.642371D+01  0.517285D+01
      2  -0.212810D+01  0.641265D+01  0.892459D+02  0.462442D+01 -0.205553D+01
      3  -0.552648D+01 -0.223380D+02  0.313186D+02  0.179929D+01 -0.311732D+01
      4  -0.585698D+01  0.645027D+01  0.365427D+01 -0.805374D+01  0.112132D+01
      5   0.412928D+01  0.546905D+01 -0.553079D+01  0.109695D+01 -0.106962D+02
      6   0.579827D+00 -0.131024D+00 -0.137264D+02 -0.455804D+01  0.114391D+01
                31            32            33            34            35 
      1  -0.291148D+02 -0.236602D+02  0.646405D+01 -0.281633D+02  0.246190D+01
      2   0.244875D+02  0.230474D+02 -0.458898D+01  0.179539D+02 -0.319553D+01
      3   0.462734D+01  0.612805D+00 -0.187506D+01  0.102094D+02  0.733637D+00
      4  -0.356522D+01 -0.705874D+01  0.163454D+01 -0.189169D+01  0.120423D+01
      5  -0.220191D+00 -0.356293D+00 -0.200170D+01 -0.145886D-01  0.139998D+01
      6  -0.341469D+01 -0.638090D+01  0.420659D+01 -0.171309D+01  0.301766D+00
                36            37            38            39            40 
      1  -0.325745D+01  0.147221D+03  0.106222D+02 -0.905468D+01  0.283488D+02
      2  -0.168992D+01 -0.105103D+03 -0.666608D+01  0.609543D+01 -0.144361D+02
      3   0.494738D+01 -0.421183D+02 -0.395616D+01  0.295925D+01 -0.139128D+02
      4   0.139122D+01 -0.393717D+01  0.145220D+02 -0.809882D+00  0.310704D+02
      5   0.269001D+01 -0.921369D+01 -0.225068D+01  0.189136D+02 -0.497631D+01
      6  -0.499265D+01  0.156128D+02  0.495331D+01 -0.269851D+01  0.114359D+02
                41            42            43            44            45 
      1   0.254185D+01  0.204614D+01  0.290164D+02  0.784595D+01  0.130288D+02
      2   0.304546D+01  0.349176D+01 -0.185470D+02 -0.281483D+01 -0.146820D+01
      3  -0.558732D+01 -0.553790D+01 -0.104695D+02 -0.503112D+01 -0.115606D+02
      4   0.688985D+01  0.400338D+01 -0.215783D+01  0.229981D+01 -0.627372D+01
      5   0.427795D+01 -0.474358D+01  0.252599D+02 -0.437064D+01 -0.851073D+01
      6   0.111044D+01  0.521683D+01 -0.222691D+01  0.260527D+01 -0.537053D+01
                46            47            48            49            50 
      1  -0.608604D+02 -0.488988D+01 -0.637617D+01  0.273600D+01 -0.300902D+01
      2   0.438001D+02 -0.155205D+01  0.204674D+00 -0.685406D+01  0.678610D+01
      3   0.170603D+02  0.644194D+01  0.617150D+01  0.411806D+01 -0.377707D+01
      4  -0.472125D+01 -0.144845D+02 -0.376400D+01  0.870603D+00  0.161856D+01
      5   0.400456D+01 -0.935709D+00 -0.132157D+02 -0.209042D+02  0.557225D+01
      6  -0.107101D+02 -0.213252D+01 -0.197657D+00  0.173811D+01 -0.490984D+01
                51            52            53            54            55 
      1  -0.707523D+01  0.480644D+02 -0.270958D+01 -0.147372D+02  0.295105D+02
      2   0.852144D+01 -0.444277D+02 -0.189129D+01  0.204047D+02 -0.170874D+02
      3  -0.144621D+01 -0.363665D+01  0.460087D+01 -0.566755D+01 -0.124230D+02
      4   0.689635D+01 -0.219997D+02  0.760017D+01  0.100422D+02 -0.714825D+01
      5   0.819815D+01 -0.574665D+02  0.505098D+01  0.456943D+02 -0.204658D+02
      6   0.348497D+01  0.121259D+02 -0.581378D+01 -0.674527D+01  0.168884D+01
                56            57            58            59            60 
      1  -0.294423D+01 -0.115746D+02 -0.222713D+02 -0.110783D+01  0.230907D+01
      2   0.252721D+01  0.773821D+01  0.142436D+02  0.130199D+01 -0.283976D+01
      3   0.417022D+00  0.383643D+01  0.802771D+01 -0.194162D+00  0.530694D+00
      4   0.117949D+02  0.430124D+01  0.216515D+02 -0.138687D+02 -0.201558D+02
      5   0.343112D+01  0.195421D+02  0.159790D+02 -0.197359D+02 -0.118713D+02
      6  -0.142550D+01 -0.125080D+01 -0.100045D+02  0.758983D+01  0.132626D+02
                61            62            63            64            65 
      1  -0.714491D+02 -0.390757D+01  0.913818D+00 -0.288203D+02  0.188005D+02
      2   0.551310D+02  0.281692D+01 -0.308971D+02  0.643058D+01 -0.370059D+01
      3   0.163181D+02  0.109065D+01  0.299833D+02  0.223897D+02 -0.150999D+02
      4   0.123857D+02 -0.175373D+02 -0.144449D+02  0.200305D+02 -0.577214D+01
      5   0.651493D+02 -0.876304D+01 -0.771188D+02 -0.154533D+02  0.222794D+02
      6  -0.108339D+02  0.143983D+02  0.863730D+01  0.803116D+01 -0.995923D+01
                66            67            68            69            70 
      1  -0.108296D+02  0.136883D+02  0.482890D+01  0.325137D+02 -0.209540D+02
      2  -0.113395D+01  0.146345D+01 -0.720847D-01 -0.242724D+02  0.127898D+01
      3   0.119635D+02 -0.151517D+02 -0.475681D+01 -0.824127D+01  0.196750D+02
      4   0.269107D+02 -0.102560D+02  0.589701D+01  0.118702D+02  0.329335D+02
      5   0.565743D+01  0.232226D+02  0.169351D+02 -0.128168D+02  0.359209D+01
      6  -0.815265D+01 -0.566479D+01 -0.101544D+02 -0.855406D+01 -0.703034D+01
                71            72            73            74            75 
      1   0.339970D+02  0.269321D+01 -0.471468D+02 -0.146135D+02 -0.118589D+02
      2  -0.242945D+02  0.984801D+00  0.196955D+02  0.820929D+01 -0.348152D+01
      3  -0.970249D+01 -0.367801D+01  0.274513D+02  0.640425D+01  0.153405D+02
      4   0.834122D+01 -0.601276D+01 -0.197899D+02  0.154384D+01 -0.312257D+01
      5  -0.972724D+01  0.629903D+01 -0.142121D+02 -0.372514D+01  0.971093D+01
      6  -0.844234D+01 -0.120198D+00 -0.253560D+01 -0.269914D+01  0.599342D+01
                76            77            78            79            80 
      1  -0.138452D+02  0.101663D+02 -0.385928D+01 -0.249910D+01 -0.230311D+01
      2   0.109158D+02 -0.519718D+01  0.101799D+02 -0.577057D+01  0.754827D+01
      3   0.292936D+01 -0.496912D+01 -0.632061D+01  0.826967D+01 -0.524516D+01
      4   0.109127D+02  0.248658D+02  0.136296D+02  0.564646D+00  0.685988D+01
      5  -0.494785D+01  0.210258D+02 -0.494661D+01  0.128735D+02 -0.518145D+01
      6   0.387781D+01  0.984130D+01  0.180242D+01  0.527550D+01 -0.429683D+00
                81            82            83            84            85 
      1   0.214648D+02 -0.101439D+02 -0.924828D+01 -0.913061D+01 -0.103581D+02
      2  -0.179875D+01  0.169789D+02  0.237720D+02  0.136560D+02  0.218395D+02
      3  -0.196660D+02 -0.683499D+01 -0.145238D+02 -0.452534D+01 -0.114815D+02
      4  -0.197035D+01  0.943926D+01  0.972511D+01  0.109242D+02  0.203756D+02
      5  -0.998014D+01  0.257399D+01  0.116034D+02 -0.146419D+02  0.116924D+02
      6  -0.810286D+01  0.162941D+01  0.128923D+02 -0.123501D+02  0.540542D+01
                86            87            88            89            90 
      1   0.104587D+02  0.951279D+01 -0.250158D+02  0.105187D+02 -0.908105D+01
      2  -0.102398D+02 -0.831222D+01  0.286087D+02 -0.817294D+01  0.527821D+01
      3  -0.218858D+00 -0.120057D+01 -0.359290D+01 -0.234575D+01  0.380284D+01
      4   0.993960D+01  0.563837D+01  0.211070D+02  0.131004D+02 -0.939831D+01
      5  -0.130987D+01 -0.786536D+00 -0.192153D+02 -0.506786D+01  0.570376D+01
      6  -0.623666D+01 -0.292671D+01 -0.160434D+02 -0.492290D+01  0.698009D+01
                91            92            93            94            95 
      1  -0.184116D+02  0.711604D+01  0.381691D+02  0.167777D+02  0.109122D+02
      2   0.757234D+01 -0.198637D+01 -0.180940D+02 -0.140424D+02 -0.956948D+01
      3   0.108393D+02 -0.512967D+01 -0.200751D+02 -0.273535D+01 -0.134271D+01
      4   0.122818D+02  0.116585D+02  0.108974D+02 -0.501092D+01 -0.286272D+02
      5   0.432843D+02  0.100193D+02 -0.377034D+01  0.122400D+02 -0.267697D+02
      6   0.621342D+01  0.414575D+01  0.237113D+01 -0.323897D+01 -0.960367D+01
                96            97            98            99           100 
      1   0.100895D+02  0.533908D+02  0.877447D+01 -0.203420D+02  0.833739D+02
      2  -0.155936D+02 -0.249101D+02 -0.115987D+02  0.148035D+02 -0.414768D+02
      3   0.550406D+01 -0.284807D+02  0.282426D+01  0.553849D+01 -0.418971D+02
      4  -0.286877D+02  0.113617D+02 -0.212622D+02  0.104806D+02  0.320955D+02
      5   0.168102D+02 -0.241995D+02  0.108547D+02 -0.283605D+02  0.256547D+02
      6  -0.876403D+01  0.318494D+01 -0.526070D+01  0.575933D+01  0.689844D+01
               101           102           103           104           105 
      1   0.135111D+02  0.132197D+02  0.639190D+01  0.740466D+01  0.109393D+01
      2  -0.380358D+01 -0.835957D+01 -0.509789D+00  0.597956D-01 -0.106732D+01
      3  -0.970752D+01 -0.486013D+01 -0.588212D+01 -0.746446D+01 -0.266106D-01
      4   0.184949D+02  0.719447D+01  0.149560D+02  0.654748D+01  0.203744D+01
      5   0.608811D+01  0.149269D+02  0.309074D+01  0.160895D+01  0.192623D+01
      6   0.420975D+01  0.397264D+01  0.295865D+01  0.620999D+00  0.223421D+01
               106           107           108           109           110 
      1   0.289781D+01  0.880018D+00  0.521849D+01  0.961046D+00  0.450275D+01
      2  -0.290065D+01 -0.203985D+01 -0.523186D+01 -0.273215D+01 -0.276750D+01
      3   0.283280D-02  0.115983D+01  0.133714D-01  0.177111D+01 -0.173525D+01
      4   0.215685D+01 -0.690705D+00  0.437326D+01  0.194242D+01 -0.197795D+01
      5   0.112510D+02  0.335119D+01  0.676659D+01  0.300974D+01  0.112962D+00
      6   0.286719D+01  0.182705D+01  0.291051D+01  0.280790D+01 -0.265631D+01
               111           112           113           114           115 
      1   0.100969D+02  0.189981D+01 -0.645361D+01 -0.306892D+01  0.749781D+01
      2   0.518285D+00 -0.140538D+01  0.221703D+01  0.109996D+01 -0.412142D+01
      3  -0.106152D+02 -0.494427D+00  0.423658D+01  0.196896D+01 -0.337640D+01
      4   0.116446D+01  0.110319D+01  0.813896D+00  0.315286D+01  0.340903D+01
      5  -0.367847D+01  0.128613D+01  0.200756D+01  0.379283D+01  0.577938D+01
      6  -0.471380D+01 -0.675644D+00  0.386806D+01  0.869527D+01  0.945262D+00
               116           117           118           119           120 
      1  -0.548878D+01 -0.229636D+02 -0.234762D+00 -0.192939D+00 -0.257452D+01
      2   0.713534D+00 -0.120965D+02 -0.376119D+01 -0.744470D-01 -0.461410D+00
      3   0.477525D+01  0.350601D+02  0.399595D+01  0.267386D+00  0.303593D+01
      4   0.734206D+01  0.658663D+01 -0.123049D+01  0.242212D+01 -0.119435D+00
      5   0.749933D+01  0.321497D+02 -0.852218D-01  0.870113D+00  0.583524D+01
      6   0.936740D+01  0.190461D+02  0.539135D+00  0.364396D+00 -0.250228D+00
               121           122           123           124           125 
      1   0.514520D+00 -0.582320D+01 -0.393998D+01 -0.187461D+01 -0.137462D+01
      2  -0.416488D+00  0.192077D+01 -0.203158D+01  0.103605D+01 -0.212568D+01
      3  -0.980318D-01  0.390243D+01  0.597157D+01  0.838560D+00  0.350030D+01
      4   0.186382D+01 -0.164674D+01 -0.163277D+01 -0.332033D+00 -0.248077D+01
      5   0.141501D+01 -0.191330D+01 -0.224649D+01  0.558817D+01 -0.166898D+01
      6   0.652585D-01  0.116209D+01  0.585925D+01 -0.628886D+00  0.534450D+01
               126           127           128           129           130 
      1  -0.247452D+02 -0.693378D+01  0.182761D+02  0.242918D+01  0.985587D+01
      2  -0.127246D+02  0.872358D+01 -0.257778D+02 -0.327728D+01 -0.124487D+02
      3   0.374699D+02 -0.178979D+01  0.750168D+01  0.848093D+00  0.259283D+01
      4  -0.333112D+01 -0.461189D+01  0.148772D+01 -0.578019D+00  0.550572D+01
      5  -0.112895D+02  0.429468D+00 -0.116789D+01  0.129172D+01 -0.102072D+01
      6  -0.903655D+00  0.141313D+01 -0.277448D+01 -0.238827D+01 -0.123321D+01
               131           132           133           134           135 
      1  -0.344442D+02 -0.344090D+01  0.462642D+01 -0.934304D+01 -0.503499D+01
      2   0.527997D+02  0.496935D+01 -0.454921D+01  0.129532D+02  0.601540D+01
      3  -0.183555D+02 -0.152845D+01 -0.772138D-01 -0.361020D+01 -0.980405D+00
      4   0.969465D+01  0.419418D-01  0.573004D+00  0.219037D+01  0.240260D+01
      5   0.101661D+01  0.258249D+01  0.315761D+01  0.303173D+01  0.837967D+00
      6   0.459285D+01  0.768151D+01  0.456043D+00  0.949876D+01  0.371900D+01
               136           137           138           139           140 
      1   0.110915D+02  0.119552D+01 -0.214763D+01  0.295590D+01 -0.592694D+01
      2  -0.398164D+01  0.304664D+01 -0.580093D+00  0.377568D+00  0.112205D+02
      3  -0.710985D+01 -0.424216D+01  0.272772D+01 -0.333347D+01 -0.529352D+01
      4   0.169216D+02  0.144832D+02 -0.113774D+02  0.108735D+02  0.132984D+02
      5  -0.151743D+02 -0.948551D+01  0.157023D+02 -0.652614D+01 -0.932477D+01
      6  -0.962363D+01 -0.893834D+01  0.106845D+02 -0.712127D+01 -0.103964D+02
               141           142           143           144           145 
      1   0.242022D+01  0.654105D-01  0.618593D+01 -0.542062D+01 -0.690000D+01
      2  -0.437171D+01 -0.290100D+01 -0.859125D+01 -0.593907D-02 -0.318449D+01
      3   0.195148D+01  0.283559D+01  0.240532D+01  0.542655D+01  0.100845D+02
      4  -0.982697D+01 -0.177724D+02 -0.167401D+02  0.154195D+02  0.626714D+01
      5   0.800191D+01  0.183434D+02  0.133836D+02 -0.229122D+02 -0.252000D+01
      6   0.986813D+01  0.141989D+02  0.163587D+02 -0.217079D+02 -0.343556D+01
               146           147           148           149           150 
      1  -0.348118D+01  0.108362D+02  0.864681D+00 -0.177667D+01 -0.570001D+01
      2   0.563124D+01  0.379498D+01  0.330616D+01 -0.498236D+00 -0.151046D+01
      3  -0.215006D+01 -0.146312D+02 -0.417084D+01  0.227491D+01  0.721047D+01
      4  -0.551559D+00 -0.583939D+01 -0.196492D+01  0.291121D+01  0.149564D+01
      5  -0.988390D+00  0.140377D+01 -0.521004D+00 -0.719113D+00  0.237650D+01
      6  -0.227827D+01  0.561940D+01 -0.128645D+01  0.261779D+01  0.672998D+00
               151           152           153           154           155 
      1   0.853925D+01 -0.798422D+00 -0.162737D+02  0.162013D+02 -0.170194D+01
      2   0.365886D+01 -0.197236D+01 -0.776274D+01 -0.800080D+01 -0.331048D+01
      3  -0.121981D+02  0.277078D+01  0.240365D+02 -0.820049D+01  0.501243D+01
      4  -0.749888D+01  0.243995D+01  0.479153D+01 -0.273805D+02  0.218409D+02
      5   0.367176D+01 -0.111759D+01  0.373951D+01  0.244154D+02 -0.142486D+02
      6   0.285647D+01  0.420311D+01 -0.891338D+01 -0.132787D+02  0.134215D+02
               156           157           158           159           160 
      1   0.229674D+01 -0.190079D+01 -0.292145D+01  0.122935D+01  0.416766D+01
      2  -0.366184D+01 -0.165693D+01  0.877380D+01 -0.149424D+01 -0.417874D+01
      3   0.136510D+01  0.355772D+01 -0.585235D+01  0.264885D+00  0.110784D-01
      4  -0.163029D+02  0.156484D+02 -0.165528D+02  0.104559D+02 -0.141029D+02
      5   0.204613D+02 -0.948612D+01  0.933524D+01 -0.832451D+01  0.170850D+02
      6  -0.134190D+02  0.931748D+01 -0.109244D+02  0.983436D+01 -0.104370D+02
               161           162           163           164           165 
      1   0.126751D+01 -0.213648D+01 -0.645666D+01 -0.115227D+02 -0.112082D+00
      2  -0.516334D+00 -0.471944D+01  0.826008D+01  0.172491D+02  0.346243D+01
      3  -0.751178D+00  0.685592D+01 -0.180342D+01 -0.572649D+01 -0.335035D+01
      4   0.111819D+02 -0.126952D+02  0.230929D+01  0.328240D+01 -0.943093D+00
      5  -0.110717D+02  0.182963D+02 -0.776287D+00 -0.411383D+01  0.189838D+00
      6   0.112182D+02 -0.143474D+02 -0.625781D+00  0.557526D-01  0.259588D+01
               166           167           168           169           170 
      1  -0.695046D+01 -0.235454D+02 -0.334961D+01 -0.274427D+01 -0.111110D+02
      2   0.103062D+02  0.392046D+02  0.742680D+01  0.449973D+01  0.171707D+02
      3  -0.335574D+01 -0.156592D+02 -0.407720D+01 -0.175546D+01 -0.605977D+01
      4   0.513699D+01 -0.810657D+01  0.446169D+00  0.687465D+00 -0.383115D+01
      5  -0.405535D+01 -0.473420D+01 -0.387215D+01  0.194932D+00 -0.362030D+01
      6   0.787728D+00 -0.181945D+01  0.632552D+01  0.105447D+01  0.462435D+01
               171           172           173           174           175 
      1  -0.420103D+01  0.171474D+02  0.475240D+01 -0.819833D+01  0.138718D+02
      2   0.562452D+01 -0.120656D+02 -0.520236D+01  0.943851D+01 -0.119370D+02
      3  -0.142349D+01 -0.508185D+01  0.449956D+00 -0.124018D+01 -0.193481D+01
      4  -0.822715D+00  0.314429D+01  0.652730D+01 -0.619941D+01  0.687131D+01
      5  -0.296265D+01 -0.130683D+02 -0.862589D+01  0.134606D+02 -0.162955D+02
      6   0.556413D+01 -0.184775D+01 -0.717370D+00  0.116026D+01 -0.942199D+00
               176           177           178           179           180 
      1   0.371061D+01 -0.875564D+01 -0.942744D+01 -0.606231D+01  0.525802D+01
      2  -0.592128D+01  0.133172D+02  0.122234D+02  0.969667D+01 -0.167046D+02
      3   0.221066D+01 -0.456160D+01 -0.279594D+01 -0.363436D+01  0.114466D+02
      4   0.163426D+02 -0.987818D+01 -0.650538D+01 -0.102541D+02  0.828334D+01
      5  -0.121114D+02  0.195485D+02  0.187053D+02  0.115365D+02 -0.286480D+02
      6  -0.548866D+01  0.402162D+01  0.930569D+00  0.569892D+01 -0.114046D+01
               181           182           183           184           185 
      1  -0.409948D+01 -0.125747D+02 -0.709641D+01 -0.942697D+01 -0.202273D+02
      2   0.335217D+01  0.914477D+01  0.276116D+01  0.419896D+01  0.207088D+02
      3   0.747304D+00  0.342994D+01  0.433525D+01  0.522801D+01 -0.481489D+00
      4  -0.814026D+00 -0.390712D+01 -0.459168D+01  0.691878D+01 -0.236161D+02
      5   0.241864D+01 -0.367338D+01 -0.404683D+01  0.246995D+01 -0.131040D+02
      6   0.205623D+01  0.753899D+01  0.679562D+01 -0.108025D+00  0.203376D+02
               186           187           188           189           190 
      1  -0.146777D+02 -0.354410D+01 -0.151932D+02 -0.134804D+02  0.687536D+02
      2   0.875679D+01  0.243341D+01  0.913508D+01  0.262942D+01 -0.268428D+02
      3   0.592093D+01  0.111069D+01  0.605811D+01  0.108510D+02 -0.419107D+02
      4  -0.133682D+02  0.197923D+00 -0.129433D+02 -0.957544D+01 -0.377897D+02
      5  -0.111514D+02  0.403295D+01 -0.953824D+01 -0.148829D+02  0.240406D+01
      6   0.161522D+02  0.696834D+00  0.154207D+02  0.151612D+02 -0.134233D+01
               191           192           193           194           195 
      1  -0.199151D+02  0.996982D+01 -0.195320D+02  0.101187D+02 -0.511222D+01
      2   0.331507D+01 -0.199820D+01  0.251904D+01  0.107271D+01  0.133376D+01
      3   0.166000D+02 -0.797162D+01  0.170130D+02 -0.111914D+02  0.377846D+01
      4   0.221583D+02 -0.684786D+01  0.241549D+02 -0.185668D+02  0.268038D+01
      5  -0.248656D+01  0.108646D+02 -0.205826D+01 -0.417654D-01 -0.336685D+01
      6   0.194945D+00 -0.298898D+01 -0.474570D-01  0.101952D+01  0.382848D+01
               196           197           198           199           200 
      1   0.274754D+02 -0.970518D+01  0.854601D+01 -0.162116D+01 -0.868052D+00
      2  -0.884737D+01  0.169510D+01 -0.335721D+01  0.188905D+01  0.685982D+00
      3  -0.186280D+02  0.801008D+01 -0.518880D+01 -0.267892D+00  0.182070D+00
      4  -0.186909D+02  0.110921D+02 -0.583381D+01  0.616009D+00  0.111259D+01
      5   0.946880D+01 -0.336452D+01  0.956656D+01 -0.461441D+00  0.541378D+00
      6  -0.280482D+01  0.308149D+01 -0.385920D+01  0.109812D+01 -0.525367D-01
               201           202           203           204           205 
      1  -0.970942D+00 -0.230634D+01 -0.115779D+01 -0.420389D+01 -0.566983D+01
      2   0.839345D+00 -0.148976D+01  0.528065D+00  0.223820D+01  0.273770D+01
      3   0.131597D+00  0.379609D+01  0.629727D+00  0.196569D+01  0.293213D+01
      4   0.871274D+00  0.235577D+00 -0.102091D+01 -0.171212D+01  0.100446D+01
      5   0.165816D+01  0.542101D+00 -0.976316D+00 -0.598482D+00  0.996026D+00
      6   0.575322D-01 -0.116720D+01  0.321694D+01  0.331619D+01  0.123433D+01
               206           207           208           209           210 
      1  -0.566305D+01 -0.123074D+02  0.224324D+01  0.211524D+01  0.536627D+01
      2   0.399298D+01  0.174542D+01 -0.334718D+01 -0.122309D+01 -0.205504D+01
      3   0.167008D+01  0.105620D+02  0.110395D+01 -0.892146D+00 -0.331124D+01
      4  -0.127250D+01 -0.243989D+01  0.255595D+01  0.113102D+01  0.150960D+01
      5  -0.159375D+01 -0.431341D+01  0.512589D+01  0.170559D+01  0.432867D+01
      6   0.478237D+01  0.690168D+01  0.171723D+01 -0.213798D+00  0.505441D+00
               211           212           213           214           215 
      1   0.257468D+01 -0.402290D+01 -0.369851D+01  0.228633D+01 -0.409348D+01
      2  -0.407804D+01  0.540904D+00 -0.179536D+01 -0.396580D+01 -0.511812D+00
      3   0.150337D+01  0.348199D+01  0.549387D+01  0.167946D+01  0.460529D+01
      4  -0.243119D+01  0.140062D+01  0.215223D+01  0.336852D+01  0.377894D+01
      5   0.471302D+01  0.289708D+01  0.640987D+01  0.821806D+01  0.527750D+01
      6  -0.147013D+01  0.273443D+01  0.415032D+01  0.228727D+01  0.623074D+01
               216           217           218           219           220 
      1  -0.186947D+02  0.280751D+01  0.816818D+01 -0.174874D+00  0.206851D+02
      2  -0.846788D+01 -0.120109D+00 -0.544111D+01 -0.193005D-01 -0.626158D+01
      3   0.271626D+02 -0.268740D+01 -0.272707D+01  0.194175D+00 -0.144235D+02
      4   0.407009D+01  0.342176D+01  0.880290D-01 -0.143989D+01  0.212151D+02
      5   0.214195D+02 -0.255210D+01 -0.786406D+00  0.336674D-01  0.916066D+01
      6   0.591838D+01  0.212778D+01 -0.126793D+01 -0.152048D+01  0.482548D+01
               221           222           223           224           225 
      1  -0.848499D+01 -0.323412D+01  0.665520D+01 -0.348765D+01  0.142759D+01
      2   0.207102D+02  0.451393D+01 -0.378566D+01  0.309776D+01 -0.163065D+01
      3  -0.122252D+02 -0.127981D+01 -0.286954D+01  0.389892D+00  0.203060D+00
      4   0.573256D+02  0.215345D+02  0.451468D+01  0.167787D+02  0.116707D+02
      5   0.200926D+02  0.151706D+02  0.133002D+02  0.118268D+02  0.179675D+02
      6   0.171618D+02  0.113993D+02  0.219033D+01  0.983326D+01  0.642809D+01
               226           227           228           229           230 
      1   0.160607D+02 -0.653439D+01  0.660488D+01 -0.190848D+02  0.186542D+01
      2  -0.113015D+02  0.404118D+01 -0.524680D+01  0.124122D+02 -0.187133D+01
      3  -0.475922D+01  0.249321D+01 -0.135808D+01  0.667262D+01  0.590641D-02
      4  -0.728229D+01  0.405193D+01 -0.524959D+01  0.127618D+02 -0.143784D+02
      5   0.848896D+01 -0.596411D+01  0.112319D+02 -0.163805D+02  0.183075D+02
      6  -0.284425D+01  0.566951D+00 -0.847632D+00  0.439570D+01 -0.607156D+01
               231           232           233           234           235 
      1  -0.540028D+01  0.227010D+02  0.993050D-01  0.979250D+01  0.955483D+02
      2   0.961986D+01 -0.176316D+02  0.504543D+01 -0.213930D+02 -0.453862D+02
      3  -0.421958D+01 -0.506941D+01 -0.514474D+01  0.116005D+02 -0.501621D+02
      4   0.193953D+02 -0.496065D+01  0.186091D+02 -0.160776D+02  0.657118D+01
      5  -0.252538D+02  0.329031D+02 -0.148349D+02  0.544167D+02 -0.188657D+02
      6   0.861850D+01 -0.271430D+01  0.725428D+01 -0.673985D+01 -0.290421D+01
               236           237           238           239           240 
      1   0.219584D+01 -0.228934D+02 -0.417164D+01  0.853792D+01 -0.666407D+00
      2   0.154898D+00  0.992806D+01  0.316699D+01 -0.265988D+01  0.957694D+00
      3  -0.235074D+01  0.129653D+02  0.100465D+01 -0.587804D+01 -0.291286D+00
      4   0.129846D+02 -0.273362D+01  0.131391D+02  0.297045D+01 -0.193301D+01
      5  -0.182552D+01  0.167855D+02 -0.804137D+00 -0.152391D+01 -0.230987D+01
      6   0.163793D+00  0.157170D+01 -0.270680D+00  0.580264D+00  0.222183D+01
               241           242           243 
      1  -0.483407D+02 -0.258190D+01  0.190724D+02
      2   0.229681D+02  0.116157D+01 -0.106186D+02
      3   0.253727D+02  0.142033D+01 -0.845382D+01
      4  -0.502790D+01 -0.720155D+01  0.410180D+00
      5   0.217124D+02 -0.164253D+00 -0.167282D+02
      6   0.229961D+01  0.173000D+01 -0.246304D+01
 Leave Link  716 at Fri Aug 13 11:38:42 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.168950D+03  0.531672D+01  0.286084D+01
      2   0.531672D+01  0.107658D+03  0.298302D+01
      3   0.286084D+01  0.298302D+01  0.111479D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.726564D+01 -0.795276D+01  0.521966D+01
      2   0.323570D+02 -0.867428D+01  0.391270D+01
      3   0.234971D+02 -0.391425D+02  0.140700D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.765867D+02 -0.257245D+02 -0.238472D+01
      2   0.671592D+02  0.416389D+01  0.868735D+01
      3   0.942754D+01  0.215606D+02 -0.630263D+01
      4  -0.372980D+02  0.916938D+02 -0.259525D+02
      5  -0.309724D+02 -0.280822D+02  0.517089D+01
      6  -0.126313D+02 -0.178024D+02 -0.117787D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.286260D+01  0.207904D+01 -0.372504D+01  0.147594D+01  0.398192D+00
      2   0.207904D+01  0.283811D+00  0.376222D+01  0.398192D+00  0.255846D+01
      3  -0.372504D+01  0.376222D+01  0.217795D+00  0.371246D+01  0.174702D+01
                 6             7             8             9            10 
      1   0.371246D+01 -0.419595D+01  0.377944D+01  0.332352D+00  0.205337D+02
      2   0.174702D+01  0.377944D+01  0.205689D+01 -0.806177D-02 -0.358977D+01
      3  -0.766739D+00  0.332352D+00 -0.806177D-02 -0.179432D+01  0.367794D+01
                11            12            13            14            15 
      1  -0.358977D+01  0.367794D+01 -0.784604D+01  0.223231D+01 -0.389927D+01
      2   0.504238D+00 -0.328314D+01  0.223231D+01 -0.395193D+01 -0.261428D+01
      3  -0.328314D+01 -0.615001D+00 -0.389927D+01 -0.261428D+01 -0.633141D-01
                16            17            18            19            20 
      1   0.156738D+02 -0.456570D+01  0.171272D+00 -0.426501D+02 -0.617704D+00
      2  -0.456570D+01 -0.251628D+01 -0.136704D+00 -0.617704D+00 -0.396090D+01
      3   0.171272D+00 -0.136704D+00  0.750278D+00 -0.180559D+01  0.996131D+00
                21            22            23            24            25 
      1  -0.180559D+01  0.476343D+01 -0.941306D+01  0.212084D+01 -0.600299D+01
      2   0.996131D+00 -0.941306D+01 -0.146631D+01 -0.935248D+00  0.187701D+01
      3   0.609594D-01  0.212084D+01 -0.935248D+00  0.211382D+01  0.258216D+00
                26            27            28            29            30 
      1   0.187701D+01  0.258216D+00  0.633331D+02  0.381602D+01  0.471310D+00
      2  -0.115734D+01  0.213809D+01  0.381602D+01  0.299192D+01 -0.503840D+00
      3   0.213809D+01  0.441226D+01  0.471310D+00 -0.503840D+00  0.151716D+01
                31            32            33            34            35 
      1   0.107666D+02  0.726240D+01 -0.194767D+01  0.884339D+01 -0.653448D+00
      2   0.726240D+01  0.308585D+01 -0.252684D-01 -0.653448D+00  0.716344D+00
      3  -0.194767D+01 -0.252684D-01 -0.120480D+01  0.183930D+01 -0.154420D+01
                36            37            38            39            40 
      1   0.183930D+01 -0.576556D+02 -0.341999D+01  0.292787D+01 -0.119812D+02
      2  -0.154420D+01 -0.341999D+01 -0.172698D+01  0.775261D+00 -0.522604D+01
      3  -0.316737D+01  0.292787D+01  0.775261D+00 -0.116351D+01  0.152886D+01
                41            42            43            44            45 
      1  -0.522604D+01  0.152886D+01 -0.111085D+02 -0.454204D+00 -0.387265D+01
      2  -0.245491D+01 -0.861431D+00 -0.454204D+00 -0.137469D+01  0.162573D+01
      3  -0.861431D+00  0.188892D+01 -0.387265D+01  0.162573D+01  0.268286D+01
                46            47            48            49            50 
      1   0.183065D+02  0.923879D+00 -0.339637D+01 -0.487327D+01 -0.632339D+00
      2   0.923879D+00 -0.803611D+00 -0.384311D-01 -0.632339D+00 -0.616819D+00
      3  -0.339637D+01 -0.384311D-01 -0.702700D+00  0.268353D+01 -0.786206D+00
                51            52            53            54            55 
      1   0.268353D+01 -0.258260D+02  0.642441D+00  0.859855D+01 -0.510415D+01
      2  -0.786206D+00  0.642441D+00  0.647996D-01 -0.903613D+00  0.613696D+00
      3  -0.166871D+01  0.859855D+01 -0.903613D+00 -0.624021D+01  0.266975D+01
                56            57            58            59            60 
      1   0.613696D+00  0.266975D+01  0.779192D+01 -0.178682D+01 -0.264053D+01
      2  -0.341405D+00 -0.386900D+00 -0.178682D+01  0.180436D+01  0.287527D+01
      3  -0.386900D+00 -0.102480D+01 -0.264053D+01  0.287527D+01  0.167134D+01
                61            62            63            64            65 
      1   0.256011D+02 -0.228094D+00 -0.983322D+01 -0.705341D+01  0.207176D+01
      2  -0.228094D+00  0.165044D+01  0.121842D+01  0.207176D+01 -0.527767D-01
      3  -0.983322D+01  0.121842D+01  0.112682D+02 -0.256861D+01  0.387626D+01
                66            67            68            69            70 
      1  -0.256861D+01  0.243772D+01 -0.958046D+00  0.379163D+01 -0.686871D+01
      2   0.387626D+01 -0.958046D+00  0.161794D+01  0.345118D+01  0.406841D+01
      3   0.857534D+00  0.379163D+01  0.345118D+01 -0.901849D+00 -0.403883D-01
                71            72            73            74            75 
      1   0.406841D+01 -0.403883D-01 -0.615149D+01 -0.152044D+01 -0.133422D+01
      2   0.317268D+01 -0.296702D+00 -0.152044D+01  0.177762D+01 -0.471765D+00
      3  -0.296702D+00  0.131343D+01 -0.133422D+01 -0.471765D+00  0.252416D+01
                76            77            78            79            80 
      1  -0.177413D+01  0.266706D+01 -0.686093D+00  0.392118D+00 -0.178190D+00
      2   0.266706D+01  0.482273D+01  0.315360D+01 -0.178190D+00  0.277544D+01
      3  -0.686093D+00  0.315360D+01 -0.101770D+01  0.233573D+01 -0.157270D+01
                81            82            83            84            85 
      1   0.233573D+01  0.706046D+01  0.274396D+01  0.733911D+00  0.551630D+01
      2  -0.157270D+01  0.274396D+01  0.396078D+01  0.303915D+01  0.572609D+01
      3  -0.312739D+01  0.733911D+00  0.303915D+01 -0.273310D+01  0.220411D+01
                86            87            88            89            90 
      1   0.572609D+01  0.220411D+01  0.793076D+01  0.543089D+01 -0.333909D+01
      2  -0.145279D+01 -0.109871D+00  0.543089D+01  0.553442D-01 -0.256057D+00
      3  -0.109871D+00  0.370030D-01 -0.333909D+01 -0.256057D+00  0.663238D+00
                91            92            93            94            95 
      1   0.148191D+01 -0.133143D+01 -0.444630D+01 -0.241012D+01  0.474867D+00
      2  -0.133143D+01 -0.895670D+00 -0.103586D+01  0.474867D+00  0.388694D+01
      3  -0.444630D+01 -0.103586D+01  0.127756D+01 -0.977394D+00  0.354479D+01
                96            97            98            99           100 
      1  -0.977394D+00 -0.719912D+01 -0.970563D+00  0.350954D+01  0.110863D+02
      2   0.354479D+01 -0.970563D+00  0.284390D+01 -0.959002D+00  0.223517D+01
      3  -0.143834D+01  0.350954D+01 -0.959002D+00  0.383536D+01  0.232049D+01
               101           102           103           104           105 
      1   0.223517D+01  0.232049D+01  0.104491D+01  0.143800D+01  0.268294D+00
      2   0.183566D+01  0.586465D+00  0.143800D+01  0.549599D+00  0.119272D+00
      3   0.586465D+00  0.146974D+01  0.268294D+00  0.119272D+00  0.263528D+00
               106           107           108           109           110 
      1   0.461413D+00  0.180859D+00  0.109251D+01 -0.169427D+00  0.420139D+00
      2   0.180859D+00 -0.233765D+00  0.479839D+00  0.420139D+00 -0.874218D+00
      3   0.109251D+01  0.479839D+00  0.102634D+01  0.936385D+00 -0.256671D+00
               111           112           113           114           115 
      1   0.936385D+00  0.179853D+00 -0.173457D+00  0.897557D-01  0.109196D+01
      2  -0.256671D+00 -0.173457D+00  0.409567D+00  0.787498D+00  0.104712D+00
      3  -0.192939D+01  0.897557D-01  0.787498D+00  0.950630D+00  0.548459D-01
               116           117           118           119           120 
      1   0.104712D+00  0.548459D-01 -0.364853D+00 -0.389209D+00 -0.794114D+00
      2   0.169341D+01  0.163413D+01 -0.389209D+00  0.273310D+00 -0.128010D+00
      3   0.163413D+01  0.777529D+01 -0.794114D+00 -0.128010D+00 -0.373510D+00
               121           122           123           124           125 
      1  -0.181178D+01  0.430264D+00 -0.268727D-01 -0.136478D+01  0.858919D-02
      2   0.430264D+00 -0.505291D+00 -0.104146D+01  0.858919D-02 -0.117196D+01
      3  -0.268727D-01 -0.104146D+01 -0.129446D+01  0.116593D+00 -0.772012D+00
               126           127           128           129           130 
      1   0.116593D+00 -0.193878D+01  0.145438D+01  0.540473D-01  0.127115D+00
      2  -0.772012D+00  0.145438D+01 -0.397176D+01 -0.563639D+00 -0.164496D+01
      3  -0.718497D+01  0.540473D-01 -0.563639D+00 -0.331674D+00 -0.364605D+00
               131           132           133           134           135 
      1  -0.164496D+01 -0.364605D+00  0.207505D+00 -0.707066D+00  0.170105D+00
      2   0.799032D+01  0.642278D+00 -0.707066D+00  0.207399D+01  0.130170D+01
      3   0.642278D+00  0.981161D+00  0.170105D+00  0.130170D+01  0.567832D+00
               136           137           138           139           140 
      1   0.279593D+01  0.150834D+01 -0.178757D+01 -0.799027D-01  0.107669D+01
      2   0.150834D+01  0.164833D+01 -0.144484D+01  0.107669D+01  0.253098D+01
      3  -0.178757D+01 -0.144484D+01  0.223799D+01 -0.105630D+01 -0.156928D+01
               141           142           143           144           145 
      1  -0.105630D+01 -0.448841D+01 -0.249113D+01  0.267974D+01 -0.291995D+01
      2  -0.156928D+01 -0.249113D+01 -0.296365D+01  0.242947D+01  0.400035D+00
      3   0.137754D+01  0.267974D+01  0.242947D+01 -0.427822D+01  0.184117D+01
               146           147           148           149           150 
      1   0.400035D+00  0.184117D+01  0.134295D+01 -0.855259D+00 -0.583892D+00
      2  -0.108000D+01 -0.153784D+00 -0.855259D+00  0.694244D+00  0.202302D+00
      3  -0.153784D+00 -0.241417D+01 -0.583892D+00  0.202302D+00  0.130418D+01
               151           152           153           154           155 
      1   0.180748D+01 -0.474541D+00 -0.187312D+01  0.542191D+01 -0.270538D+01
      2  -0.474541D+00  0.724289D+00  0.130788D-01 -0.270538D+01  0.288527D+01
      3  -0.187312D+01  0.130788D-01  0.423644D+01  0.287061D+01 -0.213581D+01
               156           157           158           159           160 
      1   0.287061D+01 -0.155993D+01  0.179756D+01 -0.136782D+01  0.199662D+01
      2  -0.213581D+01  0.179756D+01 -0.273851D+01  0.140708D+01 -0.164774D+01
      3   0.278659D+01 -0.136782D+01  0.140708D+01 -0.125234D+01  0.205166D+01
               161           162           163           164           165 
      1  -0.164774D+01  0.205166D+01 -0.135259D+01 -0.150290D+01 -0.605071D-01
      2   0.144852D+01 -0.179609D+01 -0.150290D+01 -0.248824D+01 -0.576881D+00
      3  -0.179609D+01  0.307408D+01 -0.605071D-01 -0.576881D+00 -0.674499D+00
               166           167           168           169           170 
      1  -0.123143D+01 -0.138892D+01 -0.537315D+00 -0.604344D+00 -0.817430D+00
      2  -0.138892D+01 -0.618904D+01 -0.809047D+00 -0.817430D+00 -0.290018D+01
      3  -0.537315D+00 -0.809047D+00 -0.116451D+01 -0.442449D+00 -0.982387D+00
               171           172           173           174           175 
      1  -0.442449D+00  0.265139D+01  0.791041D+00 -0.125730D+01  0.211603D+01
      2  -0.982387D+00  0.791041D+00  0.706101D+00 -0.995940D+00  0.908489D+00
      3  -0.110943D+01 -0.125730D+01 -0.995940D+00  0.131413D+01 -0.188314D+01
               176           177           178           179           180 
      1   0.908489D+00 -0.188314D+01 -0.152499D+01 -0.110024D+01  0.205689D+01
      2   0.256305D+01 -0.176388D+01 -0.110024D+01 -0.179177D+01  0.148187D+01
      3  -0.176388D+01  0.263265D+01  0.205689D+01  0.148187D+01 -0.395855D+01
               181           182           183           184           185 
      1  -0.444598D+00 -0.723094D+00 -0.173228D+00 -0.137166D+01  0.262686D+00
      2  -0.723094D+00 -0.185011D+01 -0.133579D+01  0.262686D+00 -0.509240D+01
      3  -0.173228D+00 -0.133579D+01 -0.148256D+01 -0.114370D+00 -0.288903D+01
               186           187           188           189           190 
      1  -0.114370D+00 -0.292127D+00 -0.287730D+00  0.102078D+00  0.851636D+01
      2  -0.288903D+01 -0.287730D+00 -0.275296D+01 -0.224588D+01 -0.312353D+01
      3  -0.240049D+01  0.102078D+00 -0.224588D+01 -0.310940D+01  0.116575D+01
               191           192           193           194           195 
      1  -0.312353D+01  0.116575D+01 -0.277227D+01  0.232863D+01 -0.647949D+00
      2   0.201336D+01 -0.688492D+00  0.232863D+01 -0.206925D+01  0.632883D-01
      3  -0.688492D+00  0.124215D+01 -0.647949D+00  0.632883D-01 -0.526518D+00
               196           197           198           199           200 
      1   0.500279D+01 -0.182963D+01  0.126112D+01  0.146989D+01  0.575739D+00
      2  -0.182963D+01  0.108669D+01 -0.576433D+00  0.575739D+00 -0.112997D-01
      3   0.126112D+01 -0.576433D+00  0.123864D+01  0.774212D+00 -0.192045D-01
               201           202           203           204           205 
      1   0.774212D+00  0.152163D+01 -0.103655D+01  0.280336D+00  0.190992D+01
      2  -0.192045D-01 -0.103655D+01  0.620441D+00  0.103046D+01  0.605799D+00
      3  -0.100295D+00  0.280336D+00  0.103046D+01  0.112653D+01  0.514009D+00
               206           207           208           209           210 
      1   0.605799D+00  0.514009D+00 -0.141260D+01 -0.617618D+00 -0.116376D+01
      2   0.139666D+01  0.115426D+01 -0.617618D+00 -0.562510D-01 -0.876187D-01
      3   0.115426D+01  0.453563D+01 -0.116376D+01 -0.876187D-01  0.213340D+00
               211           212           213           214           215 
      1  -0.965537D+00  0.298930D+00 -0.731579D+00 -0.187818D+01 -0.574393D+00
      2   0.298930D+00 -0.525781D+00 -0.859373D+00 -0.574393D+00 -0.125322D+01
      3  -0.731579D+00 -0.859373D+00 -0.176207D+01 -0.103305D+01 -0.160058D+01
               216           217           218           219           220 
      1  -0.103305D+01 -0.945743D+00 -0.607863D+00  0.393878D+00 -0.333088D+01
      2  -0.160058D+01 -0.607863D+00  0.574191D+00  0.382837D+00 -0.192971D+01
      3  -0.649424D+01  0.393878D+00  0.382837D+00  0.253774D+00 -0.813227D+00
               221           222           223           224           225 
      1  -0.192971D+01 -0.813227D+00 -0.116744D+01 -0.479388D+00 -0.138516D+01
      2  -0.729801D+01 -0.267747D+01 -0.479388D+00 -0.211749D+01 -0.156275D+01
      3  -0.267747D+01 -0.198608D+01 -0.138516D+01 -0.156275D+01 -0.227989D+01
               226           227           228           229           230 
      1  -0.258508D+01  0.788030D+00 -0.570636D+00  0.247137D+01 -0.114385D+01
      2   0.788030D+00 -0.263049D+00  0.496205D+00 -0.114385D+01  0.158180D+01
      3  -0.570636D+00  0.496205D+00 -0.785533D+00  0.147386D+01 -0.217528D+01
               231           232           233           234           235 
      1   0.147386D+01 -0.347176D+01  0.355814D+00 -0.321974D+01 -0.904654D+01
      2  -0.217528D+01  0.355814D+00 -0.217959D+01  0.170566D+01 -0.272298D+00
      3   0.286156D+01 -0.321974D+01  0.170566D+01 -0.627646D+01  0.224593D+01
               236           237           238           239           240 
      1  -0.272298D+00  0.224593D+01  0.452319D+00 -0.111316D+01  0.124366D+00
      2  -0.107833D+01  0.192075D+00 -0.111316D+01 -0.355259D+00  0.930884D-01
      3   0.192075D+00 -0.164216D+01  0.124366D+00  0.930884D-01  0.239085D+00
               241           242           243 
      1   0.507448D+01  0.405532D+00 -0.210564D+01
      2   0.405532D+00  0.653499D+00  0.309379D-01
      3  -0.210564D+01  0.309379D-01  0.164054D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.509174D+01  0.852115D+01  0.613888D+01  0.808679D+01  0.855086D+01
      2  -0.707258D+01  0.206672D+01  0.727945D+01  0.610444D+01  0.180708D+01
      3  -0.311815D+01 -0.828358D+01  0.131425D+01 -0.620138D+00 -0.507337D+01
                 6             7             8             9            10 
      1  -0.119340D+01  0.607265D+01  0.552617D+01 -0.460016D+01  0.580138D+01
      2  -0.604173D+01  0.326258D+01 -0.581040D+01 -0.359233D+01  0.187716D+02
      3  -0.100780D+02  0.302607D+00 -0.114104D+02 -0.925430D+00  0.107076D+02
                11            12            13            14            15 
      1  -0.519105D+01 -0.376800D+00 -0.841046D+01 -0.497715D+01 -0.528234D+01
      2  -0.858978D+01  0.273914D+01 -0.123590D+02 -0.371896D+01 -0.541099D+00
      3  -0.325198D+01  0.716572D+01  0.624208D+01  0.995623D+01  0.991374D+01
                16            17            18            19            20 
      1   0.399282D+01  0.385003D+01 -0.510125D+00 -0.437828D+00  0.332944D+01
      2   0.358087D+01 -0.184497D+00  0.242202D+01 -0.306727D+02 -0.918791D+00
      3   0.103233D+02  0.104720D+02  0.525049D+00 -0.184922D+02 -0.415541D+01
                21            22            23            24            25 
      1  -0.123293D+01  0.137216D+02  0.409858D+01 -0.168409D+01 -0.483681D+01
      2   0.181818D+01  0.215723D+01 -0.716971D+01  0.334666D+01 -0.153230D+02
      3  -0.215007D+01  0.535077D+01 -0.683823D+01  0.281868D+01 -0.373789D+01
                26            27            28            29            30 
      1   0.494935D+01 -0.361685D+01 -0.525659D+01  0.375883D+00 -0.180492D-01
      2   0.212273D+01  0.172625D+01  0.407564D+02  0.443399D+01 -0.377922D+01
      3   0.436534D+00 -0.851431D+00  0.185111D+02  0.783415D+01 -0.101875D+01
                31            32            33            34            35 
      1  -0.366927D+01 -0.282123D+01 -0.285849D+01  0.180488D+01 -0.134196D+00
      2   0.120740D+02  0.372784D+01 -0.120387D+01 -0.137456D+02 -0.132584D+01
      3   0.349787D+02  0.730099D+01  0.490879D+00 -0.108639D+01 -0.986172D+00
                36            37            38            39            40 
      1   0.311301D+01  0.390202D+01  0.924876D+00 -0.679323D+00  0.692290D+01
      2   0.138413D+01 -0.466592D+02 -0.369434D+01  0.127398D+02 -0.131457D+02
      3  -0.154859D+00 -0.155434D+02 -0.106258D+02  0.139352D+01 -0.884712D+01
                41            42            43            44            45 
      1   0.921263D+00 -0.464587D+01  0.211452D+01  0.866944D-02  0.823391D+00
      2  -0.245771D+01 -0.121849D+01 -0.135669D+02 -0.359343D+01 -0.645348D+01
      3  -0.586591D+01 -0.120761D+01  0.104024D-01  0.643585D+00  0.111019D+01
                46            47            48            49            50 
      1  -0.215283D+00 -0.200494D+01  0.227952D+01  0.621628D+01 -0.369784D+01
      2   0.123484D+02  0.315017D+01 -0.356955D+01 -0.555691D+01  0.215180D+01
      3   0.349138D+00  0.115685D+02 -0.454105D+01  0.232386D+02  0.152978D+01
                51            52            53            54            55 
      1  -0.723416D+01  0.255710D+01 -0.416750D+01  0.225747D+01 -0.121563D+01
      2   0.655098D+01 -0.502352D+02  0.414268D+00  0.292651D+02 -0.198244D+01
      3  -0.216350D+01 -0.559032D+01 -0.864673D+01 -0.160593D+01  0.306094D+00
                56            57            58            59            60 
      1   0.455348D+00 -0.416294D+00 -0.126938D+00  0.268826D+01 -0.160347D+01
      2   0.108227D+01  0.682121D+01  0.849140D+01 -0.865440D+01 -0.830850D+01
      3  -0.699988D+01 -0.633376D-01 -0.642312D+01  0.579343D+01  0.792995D+01
                61            62            63            64            65 
      1  -0.152660D+01  0.912356D+01 -0.387245D+00 -0.483442D+01  0.526340D+01
      2   0.301735D+02 -0.379722D+01 -0.449840D+02 -0.145663D+02  0.151173D+02
      3   0.482099D+01  0.125621D+02  0.278304D+01 -0.138630D+01 -0.403830D+01
                66            67            68            69            70 
      1  -0.453105D+01  0.747064D+01  0.268481D+01 -0.742900D+01 -0.724931D+01
      2   0.180962D+01  0.144184D+02  0.112722D+02  0.176129D+01 -0.973806D+01
      3  -0.106583D+02  0.534766D+01 -0.553043D+01 -0.172583D+02 -0.116771D+02
                71            72            73            74            75 
      1  -0.161047D+01  0.329961D+01 -0.173397D+01  0.546077D+01 -0.472759D+01
      2   0.443596D+01  0.611314D+01  0.746436D+01  0.178780D+01  0.120778D+02
      3  -0.158829D+02  0.126514D+01 -0.176134D+01 -0.122726D+02  0.826116D+00
                76            77            78            79            80 
      1   0.226280D+01  0.103388D+01  0.430633D+01 -0.395913D+01  0.897167D+01
      2   0.341395D+00  0.612238D+01 -0.319888D+01  0.459607D+01 -0.506497D+01
      3  -0.616399D+01 -0.108741D+02 -0.115657D+02  0.201000D+01 -0.105717D+02
                81            82            83            84            85 
      1   0.163063D+01 -0.345700D+01 -0.120824D+02  0.687450D+01 -0.145326D+02
      2  -0.128335D+02  0.743385D+01  0.677764D+01 -0.258612D+01  0.813053D+01
      3   0.860436D+01  0.150192D+01 -0.671646D+01 -0.532987D+01  0.631683D+01
                86            87            88            89            90 
      1   0.721532D+00 -0.364048D+01  0.467466D+01  0.242664D+01 -0.615851D+00
      2   0.416141D+01  0.171607D+01 -0.279596D+01  0.280295D+01 -0.123460D+01
      3   0.137155D+02  0.686602D+01 -0.721731D+00  0.121173D+02 -0.823896D+01
                91            92            93            94            95 
      1  -0.451552D+00  0.212851D+01  0.119034D+01 -0.578209D+01 -0.240114D+01
      2   0.184150D+02  0.277697D+01 -0.524859D+01  0.321510D+01 -0.152048D+02
      3  -0.664700D+01 -0.972164D+01 -0.252519D+01  0.125492D+02  0.182279D+02
                96            97            98            99           100 
      1  -0.794058D+01  0.443037D+01 -0.875875D+00  0.345028D+01 -0.810205D+00
      2   0.688550D+01 -0.238738D+02  0.315043D+01 -0.135204D+02 -0.452319D+01
      3   0.197390D+02 -0.382954D+01  0.113314D+02 -0.667197D+01  0.651212D+01
               101           102           103           104           105 
      1   0.192494D+01 -0.174338D+01  0.351516D+00  0.168908D+00 -0.133580D+01
      2  -0.131469D+00  0.524508D+01 -0.594591D+00 -0.868427D+00  0.728929D+00
      3  -0.649829D+01  0.786103D+00 -0.731737D+00 -0.109274D+00  0.590105D+00
               106           107           108           109           110 
      1  -0.930735D+00  0.549522D-01 -0.701322D+00 -0.684711D+00 -0.181393D+01
      2   0.121674D+01  0.962254D+00  0.222890D+01  0.391040D+01 -0.108666D+01
      3   0.258830D+00  0.749217D+00 -0.962907D-01 -0.169229D+01  0.213647D+01
               111           112           113           114           115 
      1   0.221851D+01 -0.845367D+00 -0.687776D+00 -0.131732D+01  0.356128D+00
      2  -0.606665D+01 -0.448040D+00  0.278609D+01  0.246682D+01 -0.510680D+01
      3   0.171238D+01  0.227897D+01 -0.846339D+00 -0.178305D+01  0.169676D+01
               116           117           118           119           120 
      1   0.259775D+01 -0.732832D+01  0.101052D+01  0.428048D+00  0.199894D+00
      2   0.410450D+01  0.218819D+02 -0.225433D+01 -0.525267D+00  0.191854D+00
      3  -0.369302D+01 -0.448533D+01  0.328146D+00 -0.114633D+01 -0.411704D+00
               121           122           123           124           125 
      1   0.747195D+00  0.155673D+01  0.475588D+00 -0.136214D+00  0.466069D+01
      2  -0.150330D+01 -0.448239D+00 -0.133070D+01 -0.428678D+01 -0.469284D+00
      3   0.227237D+01  0.334020D+00  0.616605D+00 -0.499734D+00  0.281495D+00
               126           127           128           129           130 
      1   0.353878D+01 -0.678910D+00  0.295110D+01  0.214687D+01  0.141938D+01
      2  -0.653052D+01 -0.523787D+00 -0.690994D+00  0.310013D+00 -0.152631D+01
      3   0.688358D+00 -0.827423D+01  0.884605D+01  0.118325D+01  0.830944D+01
               131           132           133           134           135 
      1  -0.450510D+01 -0.505493D+01  0.589461D-01 -0.253258D+01 -0.242098D+01
      2   0.394431D+00  0.601458D+00 -0.910324D+00  0.176006D+01  0.100289D+01
      3  -0.171944D+02 -0.180324D+01  0.270642D+01 -0.529316D+01 -0.197624D+01
               136           137           138           139           140 
      1   0.341133D+01  0.177966D+01 -0.520476D+01  0.218015D+01  0.200826D+01
      2  -0.826740D+00 -0.174443D+01  0.444484D+01 -0.197716D+01 -0.217291D+01
      3   0.360417D+01 -0.222025D+01 -0.973861D+00  0.117032D+00 -0.311213D+01
               141           142           143           144           145 
      1  -0.303792D+01 -0.452795D+01 -0.105803D+01  0.922030D+01  0.559191D+01
      2   0.246415D+01  0.489485D-01  0.289064D+01 -0.625838D+01  0.101931D+02
      3   0.545149D+00 -0.392117D+01  0.168110D+01  0.816505D+00  0.572868D+01
               146           147           148           149           150 
      1  -0.388009D+01 -0.463176D+01 -0.373525D+01  0.292101D+01  0.140171D+01
      2  -0.146784D+01 -0.513312D+01 -0.444962D+01  0.181741D+01  0.264218D+01
      3  -0.520130D+00 -0.335997D+01  0.288745D+00  0.490682D+00  0.100036D+01
               151           152           153           154           155 
      1  -0.485952D+01  0.344486D+01  0.725545D+01  0.169543D+01  0.512259D+00
      2  -0.833629D+01  0.102155D+01  0.854085D+01 -0.239643D+01 -0.108031D+01
      3  -0.351272D+01  0.110800D+01  0.392037D+01 -0.454973D+01 -0.282239D+01
               156           157           158           159           160 
      1   0.322662D+01 -0.179554D+00 -0.115870D+01 -0.207094D+01  0.131456D+01
      2   0.361367D+01  0.167175D+01  0.416141D+00 -0.695406D+00 -0.172341D+01
      3  -0.404892D+00  0.215185D+01  0.257672D+01  0.252895D+00 -0.256629D+01
               161           162           163           164           165 
      1   0.203821D+00  0.379664D+01 -0.230167D+01 -0.434909D+01 -0.332832D+01
      2  -0.716311D+00  0.359101D+01  0.182736D+01  0.132888D+01  0.234502D+00
      3  -0.364779D-01 -0.337084D+00  0.756524D+01  0.600888D+01  0.150613D+01
               166           167           168           169           170 
      1  -0.310705D+01 -0.916986D+01 -0.569852D+01 -0.219120D+01 -0.373983D+01
      2   0.100278D+01  0.171124D+01  0.325026D-02 -0.110731D+01  0.715569D-01
      3   0.734089D+01  0.132422D+02  0.242987D+01  0.397757D+01  0.664132D+01
               171           172           173           174           175 
      1  -0.456892D+01 -0.241849D+01 -0.241265D+01  0.245567D+01 -0.247159D+01
      2  -0.393803D+00 -0.133773D+01 -0.229257D+01  0.408883D+01 -0.266623D+01
      3   0.278507D+01 -0.401345D+01 -0.408957D+01  0.451706D+01 -0.302284D+01
               176           177           178           179           180 
      1  -0.720324D+01  0.365869D+01  0.333834D+01  0.608801D+01 -0.534474D+01
      2  -0.515663D+01  0.738291D+01  0.291770D+01  0.391600D+01 -0.110893D+02
      3  -0.109049D+02  0.723433D+01  0.451932D+01  0.784533D+01 -0.660870D+01
               181           182           183           184           185 
      1   0.645284D+00  0.752955D+00 -0.111398D+01  0.267601D-01  0.260118D+01
      2  -0.249140D+01 -0.509883D+01 -0.393419D+01 -0.308666D+01 -0.980030D+01
      3   0.451964D+01  0.588596D+01  0.453515D+01  0.318731D+01  0.163216D+02
               186           187           188           189           190 
      1  -0.219481D+01  0.542810D+00  0.195537D+01 -0.243071D+01  0.460103D+01
      2  -0.813630D+01 -0.195948D+01 -0.795135D+01 -0.984938D+01  0.112554D+02
      3   0.982753D+01  0.259621D+01  0.990808D+01  0.776388D+01  0.236694D+00
               191           192           193           194           195 
      1  -0.261852D+01  0.319247D+01 -0.280714D+01  0.169975D+01 -0.189656D+01
      2  -0.536103D+01  0.816575D+01 -0.478775D+01  0.217837D+01 -0.349879D+01
      3  -0.598837D+01  0.102317D+01 -0.278322D+01  0.518300D+01  0.559782D+00
               196           197           198           199           200 
      1   0.279240D+01 -0.420557D+00  0.245665D+01  0.361698D+00 -0.504158D+00
      2   0.646109D+01 -0.313460D+01  0.637021D+01  0.352089D+00  0.202036D+00
      3   0.188497D+01 -0.269225D+01  0.536916D+00  0.131458D+01  0.553166D-01
               201           202           203           204           205 
      1   0.102614D+00 -0.449176D+01  0.227660D-01 -0.108311D+01  0.612377D+00
      2  -0.409800D+00 -0.170240D+01 -0.188835D+01 -0.373080D-01 -0.368024D+01
      3   0.416622D+00  0.784882D+00  0.330710D+00  0.856762D+00  0.206074D+01
               206           207           208           209           210 
      1   0.286247D+01 -0.346360D+01  0.151493D+01 -0.960925D-02  0.798989D-01
      2   0.601465D+00 -0.269390D+01  0.115148D+01 -0.318056D+00 -0.739840D+00
      3   0.155863D+01 -0.113539D-01 -0.273804D+01 -0.617220D+00 -0.182609D+00
               211           212           213           214           215 
      1  -0.573349D+01  0.486089D+00 -0.435803D-01  0.190018D+01  0.439118D+01
      2   0.134226D+01  0.179967D+01  0.266330D+01 -0.285569D+01  0.243240D+01
      3   0.890659D+01 -0.137009D+00 -0.166674D+01 -0.279977D+01 -0.295348D+01
               216           217           218           219           220 
      1   0.395247D+00 -0.745393D-01 -0.635503D+00 -0.155713D+00  0.191809D+01
      2   0.105601D+02 -0.104392D+01 -0.185830D+01  0.508733D+00 -0.650383D+00
      3  -0.320218D+01 -0.331804D-01  0.295674D+01  0.211055D+01 -0.653365D+01
               221           222           223           224           225 
      1   0.561909D+01 -0.267664D+00  0.729233D-01  0.211555D+01  0.539304D-01
      2   0.959151D+01  0.757683D+01  0.351205D+01  0.601027D+01  0.793353D+01
      3  -0.322074D+02 -0.123918D+02 -0.103117D+01 -0.920199D+01 -0.672727D+01
               226           227           228           229           230 
      1  -0.432901D+00  0.569130D+00 -0.850420D+00  0.221884D+01 -0.299481D+01
      2  -0.396674D-01 -0.139815D+01  0.391366D+01 -0.407447D+01  0.842784D+01
      3   0.178210D+01 -0.276340D+01  0.204722D+01 -0.727945D+01  0.721814D+01
               231           232           233           234           235 
      1   0.246803D+01 -0.253428D+01  0.431009D+01 -0.457416D+01  0.155994D+01
      2  -0.117001D+02  0.887376D+01 -0.722466D+01  0.243570D+02 -0.160583D+02
      3  -0.108323D+02  0.423967D+01 -0.950360D+01  0.101417D+02  0.262480D+01
               236           237           238           239           240 
      1   0.124417D+00 -0.109541D+01  0.918807D+00  0.341358D+00 -0.540662D+00
      2  -0.974478D+00  0.112082D+02 -0.420700D+00 -0.825012D+00 -0.879160D+00
      3  -0.639460D+01 -0.409642D+00 -0.277302D+01 -0.869014D+00  0.509078D+00
               241           242           243 
      1  -0.122656D+01  0.832453D+00  0.763622D+00
      2   0.101179D+02 -0.829499D-01 -0.937393D+01
      3  -0.433992D+00  0.353583D+01  0.952407D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.705113D+01  0.631649D+01 -0.605229D+01  0.314921D+01  0.257495D+01
      2  -0.102614D+01 -0.152861D+02 -0.878424D+01 -0.114191D+02 -0.126351D+02
      3  -0.602498D+01  0.896959D+01  0.148365D+02  0.826988D+01  0.100601D+02
      4   0.138134D+02 -0.873769D+01  0.220938D+02 -0.589802D+01  0.626381D+01
      5  -0.172619D+02  0.183873D+02 -0.864400D+01  0.177303D+02  0.359345D+01
      6   0.137297D+02 -0.154214D+02  0.787967D+01 -0.106610D+02 -0.683094D+01
                 6             7             8             9            10 
      1   0.206681D+02 -0.665041D+01  0.207613D+02  0.171763D+01 -0.167108D+01
      2  -0.152275D+02 -0.927844D+01 -0.179395D+02  0.391874D+01  0.978370D+01
      3  -0.544060D+01  0.159289D+02 -0.282184D+01 -0.563637D+01 -0.811261D+01
      4  -0.616591D+01  0.228826D+02 -0.899087D+01  0.215734D+01 -0.153269D+02
      5   0.557791D+01 -0.797430D+01  0.797944D+01 -0.562360D+01  0.120761D+02
      6   0.367832D+01  0.650807D+01  0.237488D+01  0.191289D+01 -0.101195D+02
                11            12            13            14            15 
      1  -0.369188D+01  0.645526D+01 -0.718178D+01 -0.712286D+01 -0.196620D+02
      2   0.225963D+01  0.711684D+00  0.321170D+01  0.106892D+02  0.908669D+01
      3   0.143225D+01 -0.716694D+01  0.397009D+01 -0.356635D+01  0.105753D+02
      4   0.282777D+01 -0.180996D+02  0.687052D+01 -0.225883D+02 -0.783514D+01
      5  -0.155680D+02 -0.672410D+01 -0.172558D+02 -0.162784D+02  0.915035D+00
      6   0.819685D+01 -0.139233D+01 -0.172844D+01  0.943132D+00 -0.677382D+01
                16            17            18            19            20 
      1   0.451357D+01 -0.186125D+02 -0.670237D+01  0.411597D+02  0.811896D+01
      2   0.745558D+01  0.107767D+02 -0.157005D+01 -0.429483D+02 -0.114144D+02
      3  -0.119691D+02  0.783578D+01  0.827242D+01  0.178857D+01  0.329546D+01
      4  -0.263545D+02 -0.375735D+01  0.346402D+00  0.284791D+00 -0.109945D+02
      5  -0.770642D+01  0.801784D-01  0.317515D+01  0.461597D+01  0.269296D+01
      6  -0.165088D+01 -0.420639D+01 -0.418277D+00  0.743057D+01 -0.160939D+01
                21            22            23            24            25 
      1   0.224264D+01  0.182854D+02  0.479210D+01  0.550912D+01  0.252796D+01
      2  -0.184719D+01 -0.184045D+02 -0.124185D+02  0.156917D+01 -0.607731D+01
      3  -0.395448D+00  0.119052D+00  0.762639D+01 -0.707829D+01  0.354935D+01
      4   0.401295D+01 -0.340595D+02 -0.543162D+01 -0.300822D+01  0.101477D+02
      5   0.489868D+01  0.191010D+01  0.222884D+01  0.298000D+01  0.424351D+01
      6   0.181929D+01  0.708799D+01  0.440287D+01  0.196657D+01  0.228842D+01
                26            27            28            29            30 
      1   0.765458D+01  0.159253D+02 -0.120564D+03 -0.642371D+01  0.517285D+01
      2  -0.212810D+01  0.641265D+01  0.892459D+02  0.462442D+01 -0.205553D+01
      3  -0.552648D+01 -0.223380D+02  0.313186D+02  0.179929D+01 -0.311732D+01
      4  -0.585698D+01  0.645027D+01  0.365427D+01 -0.805374D+01  0.112132D+01
      5   0.412928D+01  0.546905D+01 -0.553079D+01  0.109695D+01 -0.106962D+02
      6   0.579827D+00 -0.131024D+00 -0.137264D+02 -0.455804D+01  0.114391D+01
                31            32            33            34            35 
      1  -0.291148D+02 -0.236602D+02  0.646405D+01 -0.281633D+02  0.246190D+01
      2   0.244875D+02  0.230474D+02 -0.458898D+01  0.179539D+02 -0.319553D+01
      3   0.462734D+01  0.612805D+00 -0.187506D+01  0.102094D+02  0.733637D+00
      4  -0.356522D+01 -0.705874D+01  0.163454D+01 -0.189169D+01  0.120423D+01
      5  -0.220191D+00 -0.356293D+00 -0.200170D+01 -0.145886D-01  0.139998D+01
      6  -0.341469D+01 -0.638090D+01  0.420659D+01 -0.171309D+01  0.301766D+00
                36            37            38            39            40 
      1  -0.325745D+01  0.147221D+03  0.106222D+02 -0.905468D+01  0.283488D+02
      2  -0.168992D+01 -0.105103D+03 -0.666608D+01  0.609543D+01 -0.144361D+02
      3   0.494738D+01 -0.421183D+02 -0.395616D+01  0.295925D+01 -0.139128D+02
      4   0.139122D+01 -0.393717D+01  0.145220D+02 -0.809882D+00  0.310704D+02
      5   0.269001D+01 -0.921369D+01 -0.225068D+01  0.189136D+02 -0.497631D+01
      6  -0.499265D+01  0.156128D+02  0.495331D+01 -0.269851D+01  0.114359D+02
                41            42            43            44            45 
      1   0.254185D+01  0.204614D+01  0.290164D+02  0.784595D+01  0.130288D+02
      2   0.304546D+01  0.349176D+01 -0.185470D+02 -0.281483D+01 -0.146820D+01
      3  -0.558732D+01 -0.553790D+01 -0.104695D+02 -0.503112D+01 -0.115606D+02
      4   0.688985D+01  0.400338D+01 -0.215783D+01  0.229981D+01 -0.627372D+01
      5   0.427795D+01 -0.474358D+01  0.252599D+02 -0.437064D+01 -0.851073D+01
      6   0.111044D+01  0.521683D+01 -0.222691D+01  0.260527D+01 -0.537053D+01
                46            47            48            49            50 
      1  -0.608604D+02 -0.488988D+01 -0.637617D+01  0.273600D+01 -0.300902D+01
      2   0.438001D+02 -0.155205D+01  0.204674D+00 -0.685406D+01  0.678610D+01
      3   0.170603D+02  0.644194D+01  0.617150D+01  0.411806D+01 -0.377707D+01
      4  -0.472125D+01 -0.144845D+02 -0.376400D+01  0.870603D+00  0.161856D+01
      5   0.400456D+01 -0.935709D+00 -0.132157D+02 -0.209042D+02  0.557225D+01
      6  -0.107101D+02 -0.213252D+01 -0.197657D+00  0.173811D+01 -0.490984D+01
                51            52            53            54            55 
      1  -0.707523D+01  0.480644D+02 -0.270958D+01 -0.147372D+02  0.295105D+02
      2   0.852144D+01 -0.444277D+02 -0.189129D+01  0.204047D+02 -0.170874D+02
      3  -0.144621D+01 -0.363665D+01  0.460087D+01 -0.566755D+01 -0.124230D+02
      4   0.689635D+01 -0.219997D+02  0.760017D+01  0.100422D+02 -0.714825D+01
      5   0.819815D+01 -0.574665D+02  0.505098D+01  0.456943D+02 -0.204658D+02
      6   0.348497D+01  0.121259D+02 -0.581378D+01 -0.674527D+01  0.168884D+01
                56            57            58            59            60 
      1  -0.294423D+01 -0.115746D+02 -0.222713D+02 -0.110783D+01  0.230907D+01
      2   0.252721D+01  0.773821D+01  0.142436D+02  0.130199D+01 -0.283976D+01
      3   0.417022D+00  0.383643D+01  0.802771D+01 -0.194162D+00  0.530694D+00
      4   0.117949D+02  0.430124D+01  0.216515D+02 -0.138687D+02 -0.201558D+02
      5   0.343112D+01  0.195421D+02  0.159790D+02 -0.197359D+02 -0.118713D+02
      6  -0.142550D+01 -0.125080D+01 -0.100045D+02  0.758983D+01  0.132626D+02
                61            62            63            64            65 
      1  -0.714491D+02 -0.390757D+01  0.913818D+00 -0.288203D+02  0.188005D+02
      2   0.551310D+02  0.281692D+01 -0.308971D+02  0.643058D+01 -0.370059D+01
      3   0.163181D+02  0.109065D+01  0.299833D+02  0.223897D+02 -0.150999D+02
      4   0.123857D+02 -0.175373D+02 -0.144449D+02  0.200305D+02 -0.577214D+01
      5   0.651493D+02 -0.876304D+01 -0.771188D+02 -0.154533D+02  0.222794D+02
      6  -0.108339D+02  0.143983D+02  0.863730D+01  0.803116D+01 -0.995923D+01
                66            67            68            69            70 
      1  -0.108296D+02  0.136883D+02  0.482890D+01  0.325137D+02 -0.209540D+02
      2  -0.113395D+01  0.146345D+01 -0.720847D-01 -0.242724D+02  0.127898D+01
      3   0.119635D+02 -0.151517D+02 -0.475681D+01 -0.824127D+01  0.196750D+02
      4   0.269107D+02 -0.102560D+02  0.589701D+01  0.118702D+02  0.329335D+02
      5   0.565743D+01  0.232226D+02  0.169351D+02 -0.128168D+02  0.359209D+01
      6  -0.815265D+01 -0.566479D+01 -0.101544D+02 -0.855406D+01 -0.703034D+01
                71            72            73            74            75 
      1   0.339970D+02  0.269321D+01 -0.471468D+02 -0.146135D+02 -0.118589D+02
      2  -0.242945D+02  0.984801D+00  0.196955D+02  0.820929D+01 -0.348152D+01
      3  -0.970249D+01 -0.367801D+01  0.274513D+02  0.640425D+01  0.153405D+02
      4   0.834122D+01 -0.601276D+01 -0.197899D+02  0.154384D+01 -0.312257D+01
      5  -0.972724D+01  0.629903D+01 -0.142121D+02 -0.372514D+01  0.971093D+01
      6  -0.844234D+01 -0.120198D+00 -0.253560D+01 -0.269914D+01  0.599342D+01
                76            77            78            79            80 
      1  -0.138452D+02  0.101663D+02 -0.385928D+01 -0.249910D+01 -0.230311D+01
      2   0.109158D+02 -0.519718D+01  0.101799D+02 -0.577057D+01  0.754827D+01
      3   0.292936D+01 -0.496912D+01 -0.632061D+01  0.826967D+01 -0.524516D+01
      4   0.109127D+02  0.248658D+02  0.136296D+02  0.564646D+00  0.685988D+01
      5  -0.494785D+01  0.210258D+02 -0.494661D+01  0.128735D+02 -0.518145D+01
      6   0.387781D+01  0.984130D+01  0.180242D+01  0.527550D+01 -0.429683D+00
                81            82            83            84            85 
      1   0.214648D+02 -0.101439D+02 -0.924828D+01 -0.913061D+01 -0.103581D+02
      2  -0.179875D+01  0.169789D+02  0.237720D+02  0.136560D+02  0.218395D+02
      3  -0.196660D+02 -0.683499D+01 -0.145238D+02 -0.452534D+01 -0.114815D+02
      4  -0.197035D+01  0.943926D+01  0.972511D+01  0.109242D+02  0.203756D+02
      5  -0.998014D+01  0.257399D+01  0.116034D+02 -0.146419D+02  0.116924D+02
      6  -0.810286D+01  0.162941D+01  0.128923D+02 -0.123501D+02  0.540542D+01
                86            87            88            89            90 
      1   0.104587D+02  0.951279D+01 -0.250158D+02  0.105187D+02 -0.908105D+01
      2  -0.102398D+02 -0.831222D+01  0.286087D+02 -0.817294D+01  0.527821D+01
      3  -0.218858D+00 -0.120057D+01 -0.359290D+01 -0.234575D+01  0.380284D+01
      4   0.993960D+01  0.563837D+01  0.211070D+02  0.131004D+02 -0.939831D+01
      5  -0.130987D+01 -0.786536D+00 -0.192153D+02 -0.506786D+01  0.570376D+01
      6  -0.623666D+01 -0.292671D+01 -0.160434D+02 -0.492290D+01  0.698009D+01
                91            92            93            94            95 
      1  -0.184116D+02  0.711604D+01  0.381691D+02  0.167777D+02  0.109122D+02
      2   0.757234D+01 -0.198637D+01 -0.180940D+02 -0.140424D+02 -0.956948D+01
      3   0.108393D+02 -0.512967D+01 -0.200751D+02 -0.273535D+01 -0.134271D+01
      4   0.122818D+02  0.116585D+02  0.108974D+02 -0.501092D+01 -0.286272D+02
      5   0.432843D+02  0.100193D+02 -0.377034D+01  0.122400D+02 -0.267697D+02
      6   0.621342D+01  0.414575D+01  0.237113D+01 -0.323897D+01 -0.960367D+01
                96            97            98            99           100 
      1   0.100895D+02  0.533908D+02  0.877447D+01 -0.203420D+02  0.833739D+02
      2  -0.155936D+02 -0.249101D+02 -0.115987D+02  0.148035D+02 -0.414768D+02
      3   0.550406D+01 -0.284807D+02  0.282426D+01  0.553849D+01 -0.418971D+02
      4  -0.286877D+02  0.113617D+02 -0.212622D+02  0.104806D+02  0.320955D+02
      5   0.168102D+02 -0.241995D+02  0.108547D+02 -0.283605D+02  0.256547D+02
      6  -0.876403D+01  0.318494D+01 -0.526070D+01  0.575933D+01  0.689844D+01
               101           102           103           104           105 
      1   0.135111D+02  0.132197D+02  0.639190D+01  0.740466D+01  0.109393D+01
      2  -0.380358D+01 -0.835957D+01 -0.509789D+00  0.597956D-01 -0.106732D+01
      3  -0.970752D+01 -0.486013D+01 -0.588212D+01 -0.746446D+01 -0.266106D-01
      4   0.184949D+02  0.719447D+01  0.149560D+02  0.654748D+01  0.203744D+01
      5   0.608811D+01  0.149269D+02  0.309074D+01  0.160895D+01  0.192623D+01
      6   0.420975D+01  0.397264D+01  0.295865D+01  0.620999D+00  0.223421D+01
               106           107           108           109           110 
      1   0.289781D+01  0.880018D+00  0.521849D+01  0.961046D+00  0.450275D+01
      2  -0.290065D+01 -0.203985D+01 -0.523186D+01 -0.273215D+01 -0.276750D+01
      3   0.283280D-02  0.115983D+01  0.133714D-01  0.177111D+01 -0.173525D+01
      4   0.215685D+01 -0.690705D+00  0.437326D+01  0.194242D+01 -0.197795D+01
      5   0.112510D+02  0.335119D+01  0.676659D+01  0.300974D+01  0.112962D+00
      6   0.286719D+01  0.182705D+01  0.291051D+01  0.280790D+01 -0.265631D+01
               111           112           113           114           115 
      1   0.100969D+02  0.189981D+01 -0.645361D+01 -0.306892D+01  0.749781D+01
      2   0.518285D+00 -0.140538D+01  0.221703D+01  0.109996D+01 -0.412142D+01
      3  -0.106152D+02 -0.494427D+00  0.423658D+01  0.196896D+01 -0.337640D+01
      4   0.116446D+01  0.110319D+01  0.813896D+00  0.315286D+01  0.340903D+01
      5  -0.367847D+01  0.128613D+01  0.200756D+01  0.379283D+01  0.577938D+01
      6  -0.471380D+01 -0.675644D+00  0.386806D+01  0.869527D+01  0.945262D+00
               116           117           118           119           120 
      1  -0.548878D+01 -0.229636D+02 -0.234762D+00 -0.192939D+00 -0.257452D+01
      2   0.713534D+00 -0.120965D+02 -0.376119D+01 -0.744470D-01 -0.461410D+00
      3   0.477525D+01  0.350601D+02  0.399595D+01  0.267386D+00  0.303593D+01
      4   0.734206D+01  0.658663D+01 -0.123049D+01  0.242212D+01 -0.119435D+00
      5   0.749933D+01  0.321497D+02 -0.852218D-01  0.870113D+00  0.583524D+01
      6   0.936740D+01  0.190461D+02  0.539135D+00  0.364396D+00 -0.250228D+00
               121           122           123           124           125 
      1   0.514520D+00 -0.582320D+01 -0.393998D+01 -0.187461D+01 -0.137462D+01
      2  -0.416488D+00  0.192077D+01 -0.203158D+01  0.103605D+01 -0.212568D+01
      3  -0.980318D-01  0.390243D+01  0.597157D+01  0.838560D+00  0.350030D+01
      4   0.186382D+01 -0.164674D+01 -0.163277D+01 -0.332033D+00 -0.248077D+01
      5   0.141501D+01 -0.191330D+01 -0.224649D+01  0.558817D+01 -0.166898D+01
      6   0.652585D-01  0.116209D+01  0.585925D+01 -0.628886D+00  0.534450D+01
               126           127           128           129           130 
      1  -0.247452D+02 -0.693378D+01  0.182761D+02  0.242918D+01  0.985587D+01
      2  -0.127246D+02  0.872358D+01 -0.257778D+02 -0.327728D+01 -0.124487D+02
      3   0.374699D+02 -0.178979D+01  0.750168D+01  0.848093D+00  0.259283D+01
      4  -0.333112D+01 -0.461189D+01  0.148772D+01 -0.578019D+00  0.550572D+01
      5  -0.112895D+02  0.429468D+00 -0.116789D+01  0.129172D+01 -0.102072D+01
      6  -0.903655D+00  0.141313D+01 -0.277448D+01 -0.238827D+01 -0.123321D+01
               131           132           133           134           135 
      1  -0.344442D+02 -0.344090D+01  0.462642D+01 -0.934304D+01 -0.503499D+01
      2   0.527997D+02  0.496935D+01 -0.454921D+01  0.129532D+02  0.601540D+01
      3  -0.183555D+02 -0.152845D+01 -0.772138D-01 -0.361020D+01 -0.980405D+00
      4   0.969465D+01  0.419418D-01  0.573004D+00  0.219037D+01  0.240260D+01
      5   0.101661D+01  0.258249D+01  0.315761D+01  0.303173D+01  0.837967D+00
      6   0.459285D+01  0.768151D+01  0.456043D+00  0.949876D+01  0.371900D+01
               136           137           138           139           140 
      1   0.110915D+02  0.119552D+01 -0.214763D+01  0.295590D+01 -0.592694D+01
      2  -0.398164D+01  0.304664D+01 -0.580093D+00  0.377568D+00  0.112205D+02
      3  -0.710985D+01 -0.424216D+01  0.272772D+01 -0.333347D+01 -0.529352D+01
      4   0.169216D+02  0.144832D+02 -0.113774D+02  0.108735D+02  0.132984D+02
      5  -0.151743D+02 -0.948551D+01  0.157023D+02 -0.652614D+01 -0.932477D+01
      6  -0.962363D+01 -0.893834D+01  0.106845D+02 -0.712127D+01 -0.103964D+02
               141           142           143           144           145 
      1   0.242022D+01  0.654105D-01  0.618593D+01 -0.542062D+01 -0.690000D+01
      2  -0.437171D+01 -0.290100D+01 -0.859125D+01 -0.593907D-02 -0.318449D+01
      3   0.195148D+01  0.283559D+01  0.240532D+01  0.542655D+01  0.100845D+02
      4  -0.982697D+01 -0.177724D+02 -0.167401D+02  0.154195D+02  0.626714D+01
      5   0.800191D+01  0.183434D+02  0.133836D+02 -0.229122D+02 -0.252000D+01
      6   0.986813D+01  0.141989D+02  0.163587D+02 -0.217079D+02 -0.343556D+01
               146           147           148           149           150 
      1  -0.348118D+01  0.108362D+02  0.864681D+00 -0.177667D+01 -0.570001D+01
      2   0.563124D+01  0.379498D+01  0.330616D+01 -0.498236D+00 -0.151046D+01
      3  -0.215006D+01 -0.146312D+02 -0.417084D+01  0.227491D+01  0.721047D+01
      4  -0.551559D+00 -0.583939D+01 -0.196492D+01  0.291121D+01  0.149564D+01
      5  -0.988390D+00  0.140377D+01 -0.521004D+00 -0.719113D+00  0.237650D+01
      6  -0.227827D+01  0.561940D+01 -0.128645D+01  0.261779D+01  0.672998D+00
               151           152           153           154           155 
      1   0.853925D+01 -0.798422D+00 -0.162737D+02  0.162013D+02 -0.170194D+01
      2   0.365886D+01 -0.197236D+01 -0.776274D+01 -0.800080D+01 -0.331048D+01
      3  -0.121981D+02  0.277078D+01  0.240365D+02 -0.820049D+01  0.501243D+01
      4  -0.749888D+01  0.243995D+01  0.479153D+01 -0.273805D+02  0.218409D+02
      5   0.367176D+01 -0.111759D+01  0.373951D+01  0.244154D+02 -0.142486D+02
      6   0.285647D+01  0.420311D+01 -0.891338D+01 -0.132787D+02  0.134215D+02
               156           157           158           159           160 
      1   0.229674D+01 -0.190079D+01 -0.292145D+01  0.122935D+01  0.416766D+01
      2  -0.366184D+01 -0.165693D+01  0.877380D+01 -0.149424D+01 -0.417874D+01
      3   0.136510D+01  0.355772D+01 -0.585235D+01  0.264885D+00  0.110784D-01
      4  -0.163029D+02  0.156484D+02 -0.165528D+02  0.104559D+02 -0.141029D+02
      5   0.204613D+02 -0.948612D+01  0.933524D+01 -0.832451D+01  0.170850D+02
      6  -0.134190D+02  0.931748D+01 -0.109244D+02  0.983436D+01 -0.104370D+02
               161           162           163           164           165 
      1   0.126751D+01 -0.213648D+01 -0.645666D+01 -0.115227D+02 -0.112082D+00
      2  -0.516334D+00 -0.471944D+01  0.826008D+01  0.172491D+02  0.346243D+01
      3  -0.751178D+00  0.685592D+01 -0.180342D+01 -0.572649D+01 -0.335035D+01
      4   0.111819D+02 -0.126952D+02  0.230929D+01  0.328240D+01 -0.943093D+00
      5  -0.110717D+02  0.182963D+02 -0.776287D+00 -0.411383D+01  0.189838D+00
      6   0.112182D+02 -0.143474D+02 -0.625781D+00  0.557526D-01  0.259588D+01
               166           167           168           169           170 
      1  -0.695046D+01 -0.235454D+02 -0.334961D+01 -0.274427D+01 -0.111110D+02
      2   0.103062D+02  0.392046D+02  0.742680D+01  0.449973D+01  0.171707D+02
      3  -0.335574D+01 -0.156592D+02 -0.407720D+01 -0.175546D+01 -0.605977D+01
      4   0.513699D+01 -0.810657D+01  0.446169D+00  0.687465D+00 -0.383115D+01
      5  -0.405535D+01 -0.473420D+01 -0.387215D+01  0.194932D+00 -0.362030D+01
      6   0.787728D+00 -0.181945D+01  0.632552D+01  0.105447D+01  0.462435D+01
               171           172           173           174           175 
      1  -0.420103D+01  0.171474D+02  0.475240D+01 -0.819833D+01  0.138718D+02
      2   0.562452D+01 -0.120656D+02 -0.520236D+01  0.943851D+01 -0.119370D+02
      3  -0.142349D+01 -0.508185D+01  0.449956D+00 -0.124018D+01 -0.193481D+01
      4  -0.822715D+00  0.314429D+01  0.652730D+01 -0.619941D+01  0.687131D+01
      5  -0.296265D+01 -0.130683D+02 -0.862589D+01  0.134606D+02 -0.162955D+02
      6   0.556413D+01 -0.184775D+01 -0.717370D+00  0.116026D+01 -0.942199D+00
               176           177           178           179           180 
      1   0.371061D+01 -0.875564D+01 -0.942744D+01 -0.606231D+01  0.525802D+01
      2  -0.592128D+01  0.133172D+02  0.122234D+02  0.969667D+01 -0.167046D+02
      3   0.221066D+01 -0.456160D+01 -0.279594D+01 -0.363436D+01  0.114466D+02
      4   0.163426D+02 -0.987818D+01 -0.650538D+01 -0.102541D+02  0.828334D+01
      5  -0.121114D+02  0.195485D+02  0.187053D+02  0.115365D+02 -0.286480D+02
      6  -0.548866D+01  0.402162D+01  0.930569D+00  0.569892D+01 -0.114046D+01
               181           182           183           184           185 
      1  -0.409948D+01 -0.125747D+02 -0.709641D+01 -0.942697D+01 -0.202273D+02
      2   0.335217D+01  0.914477D+01  0.276116D+01  0.419896D+01  0.207088D+02
      3   0.747304D+00  0.342994D+01  0.433525D+01  0.522801D+01 -0.481489D+00
      4  -0.814026D+00 -0.390712D+01 -0.459168D+01  0.691878D+01 -0.236161D+02
      5   0.241864D+01 -0.367338D+01 -0.404683D+01  0.246995D+01 -0.131040D+02
      6   0.205623D+01  0.753899D+01  0.679562D+01 -0.108025D+00  0.203376D+02
               186           187           188           189           190 
      1  -0.146777D+02 -0.354410D+01 -0.151932D+02 -0.134804D+02  0.687536D+02
      2   0.875679D+01  0.243341D+01  0.913508D+01  0.262942D+01 -0.268428D+02
      3   0.592093D+01  0.111069D+01  0.605811D+01  0.108510D+02 -0.419107D+02
      4  -0.133682D+02  0.197923D+00 -0.129433D+02 -0.957544D+01 -0.377897D+02
      5  -0.111514D+02  0.403295D+01 -0.953824D+01 -0.148829D+02  0.240406D+01
      6   0.161522D+02  0.696834D+00  0.154207D+02  0.151612D+02 -0.134233D+01
               191           192           193           194           195 
      1  -0.199151D+02  0.996982D+01 -0.195320D+02  0.101187D+02 -0.511222D+01
      2   0.331507D+01 -0.199820D+01  0.251904D+01  0.107271D+01  0.133376D+01
      3   0.166000D+02 -0.797162D+01  0.170130D+02 -0.111914D+02  0.377846D+01
      4   0.221583D+02 -0.684786D+01  0.241549D+02 -0.185668D+02  0.268038D+01
      5  -0.248656D+01  0.108646D+02 -0.205826D+01 -0.417654D-01 -0.336685D+01
      6   0.194945D+00 -0.298898D+01 -0.474570D-01  0.101952D+01  0.382848D+01
               196           197           198           199           200 
      1   0.274754D+02 -0.970518D+01  0.854601D+01 -0.162116D+01 -0.868052D+00
      2  -0.884737D+01  0.169510D+01 -0.335721D+01  0.188905D+01  0.685982D+00
      3  -0.186280D+02  0.801008D+01 -0.518880D+01 -0.267892D+00  0.182070D+00
      4  -0.186909D+02  0.110921D+02 -0.583381D+01  0.616009D+00  0.111259D+01
      5   0.946880D+01 -0.336452D+01  0.956656D+01 -0.461441D+00  0.541378D+00
      6  -0.280482D+01  0.308149D+01 -0.385920D+01  0.109812D+01 -0.525367D-01
               201           202           203           204           205 
      1  -0.970942D+00 -0.230634D+01 -0.115779D+01 -0.420389D+01 -0.566983D+01
      2   0.839345D+00 -0.148976D+01  0.528065D+00  0.223820D+01  0.273770D+01
      3   0.131597D+00  0.379609D+01  0.629727D+00  0.196569D+01  0.293213D+01
      4   0.871274D+00  0.235577D+00 -0.102091D+01 -0.171212D+01  0.100446D+01
      5   0.165816D+01  0.542101D+00 -0.976316D+00 -0.598482D+00  0.996026D+00
      6   0.575322D-01 -0.116720D+01  0.321694D+01  0.331619D+01  0.123433D+01
               206           207           208           209           210 
      1  -0.566305D+01 -0.123074D+02  0.224324D+01  0.211524D+01  0.536627D+01
      2   0.399298D+01  0.174542D+01 -0.334718D+01 -0.122309D+01 -0.205504D+01
      3   0.167008D+01  0.105620D+02  0.110395D+01 -0.892146D+00 -0.331124D+01
      4  -0.127250D+01 -0.243989D+01  0.255595D+01  0.113102D+01  0.150960D+01
      5  -0.159375D+01 -0.431341D+01  0.512589D+01  0.170559D+01  0.432867D+01
      6   0.478237D+01  0.690168D+01  0.171723D+01 -0.213798D+00  0.505441D+00
               211           212           213           214           215 
      1   0.257468D+01 -0.402290D+01 -0.369851D+01  0.228633D+01 -0.409348D+01
      2  -0.407804D+01  0.540904D+00 -0.179536D+01 -0.396580D+01 -0.511812D+00
      3   0.150337D+01  0.348199D+01  0.549387D+01  0.167946D+01  0.460529D+01
      4  -0.243119D+01  0.140062D+01  0.215223D+01  0.336852D+01  0.377894D+01
      5   0.471302D+01  0.289708D+01  0.640987D+01  0.821806D+01  0.527750D+01
      6  -0.147013D+01  0.273443D+01  0.415032D+01  0.228727D+01  0.623074D+01
               216           217           218           219           220 
      1  -0.186947D+02  0.280751D+01  0.816818D+01 -0.174874D+00  0.206851D+02
      2  -0.846788D+01 -0.120109D+00 -0.544111D+01 -0.193005D-01 -0.626158D+01
      3   0.271626D+02 -0.268740D+01 -0.272707D+01  0.194175D+00 -0.144235D+02
      4   0.407009D+01  0.342176D+01  0.880290D-01 -0.143989D+01  0.212151D+02
      5   0.214195D+02 -0.255210D+01 -0.786406D+00  0.336674D-01  0.916066D+01
      6   0.591838D+01  0.212778D+01 -0.126793D+01 -0.152048D+01  0.482548D+01
               221           222           223           224           225 
      1  -0.848499D+01 -0.323412D+01  0.665520D+01 -0.348765D+01  0.142759D+01
      2   0.207102D+02  0.451393D+01 -0.378566D+01  0.309776D+01 -0.163065D+01
      3  -0.122252D+02 -0.127981D+01 -0.286954D+01  0.389892D+00  0.203060D+00
      4   0.573256D+02  0.215345D+02  0.451468D+01  0.167787D+02  0.116707D+02
      5   0.200926D+02  0.151706D+02  0.133002D+02  0.118268D+02  0.179675D+02
      6   0.171618D+02  0.113993D+02  0.219033D+01  0.983326D+01  0.642809D+01
               226           227           228           229           230 
      1   0.160607D+02 -0.653439D+01  0.660488D+01 -0.190848D+02  0.186542D+01
      2  -0.113015D+02  0.404118D+01 -0.524680D+01  0.124122D+02 -0.187133D+01
      3  -0.475922D+01  0.249321D+01 -0.135808D+01  0.667262D+01  0.590641D-02
      4  -0.728229D+01  0.405193D+01 -0.524959D+01  0.127618D+02 -0.143784D+02
      5   0.848896D+01 -0.596411D+01  0.112319D+02 -0.163805D+02  0.183075D+02
      6  -0.284425D+01  0.566951D+00 -0.847632D+00  0.439570D+01 -0.607156D+01
               231           232           233           234           235 
      1  -0.540028D+01  0.227010D+02  0.993050D-01  0.979250D+01  0.955483D+02
      2   0.961986D+01 -0.176316D+02  0.504543D+01 -0.213930D+02 -0.453862D+02
      3  -0.421958D+01 -0.506941D+01 -0.514474D+01  0.116005D+02 -0.501621D+02
      4   0.193953D+02 -0.496065D+01  0.186091D+02 -0.160776D+02  0.657118D+01
      5  -0.252538D+02  0.329031D+02 -0.148349D+02  0.544167D+02 -0.188657D+02
      6   0.861850D+01 -0.271430D+01  0.725428D+01 -0.673985D+01 -0.290421D+01
               236           237           238           239           240 
      1   0.219584D+01 -0.228934D+02 -0.417164D+01  0.853792D+01 -0.666407D+00
      2   0.154898D+00  0.992806D+01  0.316699D+01 -0.265988D+01  0.957694D+00
      3  -0.235074D+01  0.129653D+02  0.100465D+01 -0.587804D+01 -0.291286D+00
      4   0.129846D+02 -0.273362D+01  0.131391D+02  0.297045D+01 -0.193301D+01
      5  -0.182552D+01  0.167855D+02 -0.804137D+00 -0.152391D+01 -0.230987D+01
      6   0.163793D+00  0.157170D+01 -0.270680D+00  0.580264D+00  0.222183D+01
               241           242           243 
      1  -0.483407D+02 -0.258190D+01  0.190724D+02
      2   0.229681D+02  0.116157D+01 -0.106186D+02
      3   0.253727D+02  0.142033D+01 -0.845382D+01
      4  -0.502790D+01 -0.720155D+01  0.410180D+00
      5   0.217124D+02 -0.164253D+00 -0.167282D+02
      6   0.229961D+01  0.173000D+01 -0.246304D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124289D+01      0.315911D+01      0.105377D+02
   x          0.701090D+00      0.178199D+01      0.594408D+01
   y         -0.270005D+00     -0.686284D+00     -0.228920D+01
   z         -0.990123D+00     -0.251664D+01     -0.839461D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124605D+03      0.184645D+02      0.205445D+02
   aniso      0.563378D+02      0.834841D+01      0.928885D+01
   xx         0.161281D+03      0.238994D+02      0.265917D+02
   yx         0.503065D+01      0.745465D+00      0.829442D+00
   yy         0.104214D+03      0.154429D+02      0.171826D+02
   zx         0.311106D+01      0.461011D+00      0.512944D+00
   zy         0.314748D+01      0.466409D+00      0.518950D+00
   zz         0.108319D+03      0.160512D+02      0.178593D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.129362D+03      0.191695D+02      0.213290D+02
   aniso      0.606062D+02      0.898091D+01      0.999262D+01
   xx         0.168950D+03      0.250358D+02      0.278561D+02
   yx         0.531672D+01      0.787857D+00      0.876609D+00
   yy         0.107658D+03      0.159533D+02      0.177504D+02
   zx         0.286084D+01      0.423933D+00      0.471689D+00
   zy         0.298302D+01      0.442038D+00      0.491834D+00
   zz         0.111479D+03      0.165195D+02      0.183805D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.31057103          3.01161153          0.66057137
     6          3.15169930          0.55898889          2.14372613
     6          0.72104114         -1.14537824          1.74743911
     6         -0.68428646         -0.66406633         -0.61938830
     6         -3.12615275         -0.05670664         -0.78313223
     6         -4.36984297          0.40207931         -3.25359649
     8         -3.24387892          0.25109352         -5.25017365
     6          3.56167641          1.04759525          4.95289864
     6          4.78450642         -1.68090019          1.17765614
     6          2.51877902         -3.47451589          1.57415738
     6         -7.14405281          1.07839203         -3.15095843
     1          6.50932251         -2.08450686          2.23064673
     1          5.27022703         -1.47234985         -0.81429324
     1         -0.56889375         -1.13080403          3.35615870
     1          2.11116318         -4.81747347          0.06885585
     1          2.60760481         -4.49976335          3.35605105
     1          3.06113845          2.71024006         -1.36204028
     1          5.15563423          3.89572492          0.94486153
     1          1.86577704          4.35030898          1.28110987
     1          3.45799868         -0.69393072          6.05435274
     1          2.13541212          2.34845247          5.68609534
     1          5.41947208          1.88970801          5.27572033
     1          0.34910321         -0.81935343         -2.38810818
     1         -4.27243619          0.11992801          0.90831120
     1         -7.41615038          2.78555199         -2.01913147
     1         -8.20768111         -0.43132452         -2.22423329
     1         -7.87028210          1.37824008         -5.04921726

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124289D+01      0.315911D+01      0.105377D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.124289D+01      0.315911D+01      0.105377D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124605D+03      0.184645D+02      0.205445D+02
   aniso      0.563378D+02      0.834841D+01      0.928885D+01
   xx         0.147859D+03      0.219104D+02      0.243786D+02
   yx        -0.800009D+01     -0.118549D+01     -0.131904D+01
   yy         0.103918D+03      0.153990D+02      0.171337D+02
   zx         0.223331D+02      0.330942D+01      0.368222D+01
   zy        -0.275125D+01     -0.407694D+00     -0.453620D+00
   zz         0.122037D+03      0.180841D+02      0.201213D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.129362D+03      0.191695D+02      0.213290D+02
   aniso      0.606062D+02      0.898091D+01      0.999262D+01
   xx         0.153861D+03      0.227998D+02      0.253682D+02
   yx        -0.844965D+01     -0.125211D+01     -0.139316D+01
   yy         0.107483D+03      0.159273D+02      0.177215D+02
   zx         0.244946D+02      0.362973D+01      0.403862D+01
   zy        -0.318176D+01     -0.471489D+00     -0.524602D+00
   zz         0.126744D+03      0.187815D+02      0.208972D+02

 ----------------------------------------------------------------------
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 0000405,0.00000054,-0.00000252,-0.00000500,0.00000138,0.00000062,-0.00
 000112,-0.00000401,0.00000270,0.00000148,0.00000097,0.00000097,-0.0000
 0227,0.00000033,-0.00000318,-0.00000358,-0.00000045,-0.00000112,-0.000
 00409,-0.00000040,-0.00000084,0.00000137\\\@


 WE SHOULD BE CAREFUL TO GET OUT OF AN EXPERIENCE ONLY THE WISDOM
 THAT IS IN IT -- AND STOP THERE;
 LEST WE BE LIKE THE CAT THAT SITS DOWN ON A HOT STOVE-LID.
 SHE WILL NEVER SIT DOWN ON A HOT STOVE LID AGAIN;
 BUT ALSO SHE WILL NEVER SIT DOWN ON A COLD ONE ANY MORE.

                                                     -- MARK TWAIN
 Job cpu time:       0 days  6 hours 51 minutes 30.0 seconds.
 Elapsed time:       0 days  0 hours 51 minutes 32.6 seconds.
 File lengths (MBytes):  RWF=    392 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 11:38:42 2021.
